data_9BLJ
# 
_entry.id   9BLJ 
# 
_audit_conform.dict_name       mmcif_pdbx.dic 
_audit_conform.dict_version    5.403 
_audit_conform.dict_location   http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic 
# 
loop_
_database_2.database_id 
_database_2.database_code 
_database_2.pdbx_database_accession 
_database_2.pdbx_DOI 
PDB   9BLJ         pdb_00009blj 10.2210/pdb9blj/pdb 
WWPDB D_1000283588 ?            ?                   
# 
_pdbx_audit_revision_history.ordinal             1 
_pdbx_audit_revision_history.data_content_type   'Structure model' 
_pdbx_audit_revision_history.major_revision      1 
_pdbx_audit_revision_history.minor_revision      0 
_pdbx_audit_revision_history.revision_date       2025-04-30 
_pdbx_audit_revision_history.part_number         ? 
# 
_pdbx_audit_revision_details.ordinal             1 
_pdbx_audit_revision_details.revision_ordinal    1 
_pdbx_audit_revision_details.data_content_type   'Structure model' 
_pdbx_audit_revision_details.provider            repository 
_pdbx_audit_revision_details.type                'Initial release' 
_pdbx_audit_revision_details.description         ? 
_pdbx_audit_revision_details.details             ? 
# 
_pdbx_database_status.status_code                     REL 
_pdbx_database_status.status_code_sf                  REL 
_pdbx_database_status.status_code_mr                  ? 
_pdbx_database_status.entry_id                        9BLJ 
_pdbx_database_status.recvd_initial_deposition_date   2024-04-30 
_pdbx_database_status.SG_entry                        N 
_pdbx_database_status.deposit_site                    RCSB 
_pdbx_database_status.process_site                    RCSB 
_pdbx_database_status.status_code_cs                  ? 
_pdbx_database_status.status_code_nmr_data            ? 
_pdbx_database_status.methods_development_category    ? 
_pdbx_database_status.pdb_format_compatible           Y 
# 
loop_
_pdbx_contact_author.id 
_pdbx_contact_author.email 
_pdbx_contact_author.name_first 
_pdbx_contact_author.name_last 
_pdbx_contact_author.name_mi 
_pdbx_contact_author.role 
_pdbx_contact_author.identifier_ORCID 
2 adela@unam.mx  Adela     Rodriguez-Romero  ? 'principal investigator/group leader' 0000-0001-7641-6545 
3 hersan@unam.mx Alejandra Hernandez-Santoyo ? 'principal investigator/group leader' 0000-0001-8045-4157 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
_audit_author.identifier_ORCID 
'Rodriguez-Romero, A.'  1 0000-0001-7641-6545 
'Hernandez-Santoyo, A.' 2 0000-0001-8045-4157 
# 
_citation.abstract                  ? 
_citation.abstract_id_CAS           ? 
_citation.book_id_ISBN              ? 
_citation.book_publisher            ? 
_citation.book_publisher_city       ? 
_citation.book_title                ? 
_citation.coordinate_linkage        ? 
_citation.country                   US 
_citation.database_id_Medline       ? 
_citation.details                   ? 
_citation.id                        primary 
_citation.journal_abbrev            Biochem.Biophys.Res.Commun. 
_citation.journal_id_ASTM           BBRCA9 
_citation.journal_id_CSD            0146 
_citation.journal_id_ISSN           1090-2104 
_citation.journal_full              ? 
_citation.journal_issue             ? 
_citation.journal_volume            763 
_citation.language                  ? 
_citation.page_first                151801 
_citation.page_last                 151801 
_citation.title                     
'Understanding the structure and function of HPI, a rubber tree serine protease inhibitor, and its interaction with subtilisin.' 
_citation.year                      2025 
_citation.database_id_CSD           ? 
_citation.pdbx_database_id_DOI      10.1016/j.bbrc.2025.151801 
_citation.pdbx_database_id_PubMed   40233429 
_citation.pdbx_database_id_patent   ? 
_citation.unpublished_flag          ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
_citation_author.identifier_ORCID 
primary 'Terron-Hernandez, J.'  1 ? 
primary 'Gomez-Velasco, H.'     2 ? 
primary 'Pinzon-Yaya, L.'       3 ? 
primary 'Hernandez-Santoyo, A.' 4 ? 
primary 'Garcia-Ramirez, B.'    5 ? 
primary 'Rodriguez-Romero, A.'  6 ? 
# 
loop_
_entity.id 
_entity.type 
_entity.src_method 
_entity.pdbx_description 
_entity.formula_weight 
_entity.pdbx_number_of_molecules 
_entity.pdbx_ec 
_entity.pdbx_mutation 
_entity.pdbx_fragment 
_entity.details 
1 polymer man 'Protease inhibitor HPI' 7747.798 1  ? ? ? ? 
2 water   nat water                    18.015   44 ? ? ? ? 
# 
_entity_name_com.entity_id   1 
_entity_name_com.name        'HbPI1,Protease inhibitor 1' 
# 
_entity_poly.entity_id                      1 
_entity_poly.type                           'polypeptide(L)' 
_entity_poly.nstd_linkage                   no 
_entity_poly.nstd_monomer                   no 
_entity_poly.pdbx_seq_one_letter_code       GHMASQCPVKNSWPELVGTNGDIAAGIIQTENANVKAIVVKEGLPITQDLNFNRVRVFVDENRVVTQVPAIG 
_entity_poly.pdbx_seq_one_letter_code_can   GHMASQCPVKNSWPELVGTNGDIAAGIIQTENANVKAIVVKEGLPITQDLNFNRVRVFVDENRVVTQVPAIG 
_entity_poly.pdbx_strand_id                 A 
_entity_poly.pdbx_target_identifier         ? 
# 
_pdbx_entity_nonpoly.entity_id   2 
_pdbx_entity_nonpoly.name        water 
_pdbx_entity_nonpoly.comp_id     HOH 
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1  GLY n 
1 2  HIS n 
1 3  MET n 
1 4  ALA n 
1 5  SER n 
1 6  GLN n 
1 7  CYS n 
1 8  PRO n 
1 9  VAL n 
1 10 LYS n 
1 11 ASN n 
1 12 SER n 
1 13 TRP n 
1 14 PRO n 
1 15 GLU n 
1 16 LEU n 
1 17 VAL n 
1 18 GLY n 
1 19 THR n 
1 20 ASN n 
1 21 GLY n 
1 22 ASP n 
1 23 ILE n 
1 24 ALA n 
1 25 ALA n 
1 26 GLY n 
1 27 ILE n 
1 28 ILE n 
1 29 GLN n 
1 30 THR n 
1 31 GLU n 
1 32 ASN n 
1 33 ALA n 
1 34 ASN n 
1 35 VAL n 
1 36 LYS n 
1 37 ALA n 
1 38 ILE n 
1 39 VAL n 
1 40 VAL n 
1 41 LYS n 
1 42 GLU n 
1 43 GLY n 
1 44 LEU n 
1 45 PRO n 
1 46 ILE n 
1 47 THR n 
1 48 GLN n 
1 49 ASP n 
1 50 LEU n 
1 51 ASN n 
1 52 PHE n 
1 53 ASN n 
1 54 ARG n 
1 55 VAL n 
1 56 ARG n 
1 57 VAL n 
1 58 PHE n 
1 59 VAL n 
1 60 ASP n 
1 61 GLU n 
1 62 ASN n 
1 63 ARG n 
1 64 VAL n 
1 65 VAL n 
1 66 THR n 
1 67 GLN n 
1 68 VAL n 
1 69 PRO n 
1 70 ALA n 
1 71 ILE n 
1 72 GLY n 
# 
_entity_src_gen.entity_id                          1 
_entity_src_gen.pdbx_src_id                        1 
_entity_src_gen.pdbx_alt_source_flag               sample 
_entity_src_gen.pdbx_seq_type                      'Biological sequence' 
_entity_src_gen.pdbx_beg_seq_num                   1 
_entity_src_gen.pdbx_end_seq_num                   72 
_entity_src_gen.gene_src_common_name               'rubber tree' 
_entity_src_gen.gene_src_genus                     ? 
_entity_src_gen.pdbx_gene_src_gene                 PI1 
_entity_src_gen.gene_src_species                   ? 
_entity_src_gen.gene_src_strain                    ? 
_entity_src_gen.gene_src_tissue                    ? 
_entity_src_gen.gene_src_tissue_fraction           ? 
_entity_src_gen.gene_src_details                   ? 
_entity_src_gen.pdbx_gene_src_fragment             ? 
_entity_src_gen.pdbx_gene_src_scientific_name      'Hevea brasiliensis' 
_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id     3981 
_entity_src_gen.pdbx_gene_src_variant              ? 
_entity_src_gen.pdbx_gene_src_cell_line            ? 
_entity_src_gen.pdbx_gene_src_atcc                 ? 
_entity_src_gen.pdbx_gene_src_organ                ? 
_entity_src_gen.pdbx_gene_src_organelle            ? 
_entity_src_gen.pdbx_gene_src_cell                 ? 
_entity_src_gen.pdbx_gene_src_cellular_location    ? 
_entity_src_gen.host_org_common_name               ? 
_entity_src_gen.pdbx_host_org_scientific_name      'Escherichia coli' 
_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id     562 
_entity_src_gen.host_org_genus                     ? 
_entity_src_gen.pdbx_host_org_gene                 ? 
_entity_src_gen.pdbx_host_org_organ                ? 
_entity_src_gen.host_org_species                   ? 
_entity_src_gen.pdbx_host_org_tissue               ? 
_entity_src_gen.pdbx_host_org_tissue_fraction      ? 
_entity_src_gen.pdbx_host_org_strain               ? 
_entity_src_gen.pdbx_host_org_variant              'Rosetta(D3)' 
_entity_src_gen.pdbx_host_org_cell_line            ? 
_entity_src_gen.pdbx_host_org_atcc                 ? 
_entity_src_gen.pdbx_host_org_culture_collection   ? 
_entity_src_gen.pdbx_host_org_cell                 ? 
_entity_src_gen.pdbx_host_org_organelle            ? 
_entity_src_gen.pdbx_host_org_cellular_location    ? 
_entity_src_gen.pdbx_host_org_vector_type          ? 
_entity_src_gen.pdbx_host_org_vector               ? 
_entity_src_gen.host_org_details                   ? 
_entity_src_gen.expression_system_id               ? 
_entity_src_gen.plasmid_name                       ? 
_entity_src_gen.plasmid_details                    ? 
_entity_src_gen.pdbx_description                   ? 
# 
loop_
_chem_comp.id 
_chem_comp.type 
_chem_comp.mon_nstd_flag 
_chem_comp.name 
_chem_comp.pdbx_synonyms 
_chem_comp.formula 
_chem_comp.formula_weight 
ALA 'L-peptide linking' y ALANINE         ? 'C3 H7 N O2'     89.093  
ARG 'L-peptide linking' y ARGININE        ? 'C6 H15 N4 O2 1' 175.209 
ASN 'L-peptide linking' y ASPARAGINE      ? 'C4 H8 N2 O3'    132.118 
ASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4'     133.103 
CYS 'L-peptide linking' y CYSTEINE        ? 'C3 H7 N O2 S'   121.158 
GLN 'L-peptide linking' y GLUTAMINE       ? 'C5 H10 N2 O3'   146.144 
GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4'     147.129 
GLY 'peptide linking'   y GLYCINE         ? 'C2 H5 N O2'     75.067  
HIS 'L-peptide linking' y HISTIDINE       ? 'C6 H10 N3 O2 1' 156.162 
HOH non-polymer         . WATER           ? 'H2 O'           18.015  
ILE 'L-peptide linking' y ISOLEUCINE      ? 'C6 H13 N O2'    131.173 
LEU 'L-peptide linking' y LEUCINE         ? 'C6 H13 N O2'    131.173 
LYS 'L-peptide linking' y LYSINE          ? 'C6 H15 N2 O2 1' 147.195 
MET 'L-peptide linking' y METHIONINE      ? 'C5 H11 N O2 S'  149.211 
PHE 'L-peptide linking' y PHENYLALANINE   ? 'C9 H11 N O2'    165.189 
PRO 'L-peptide linking' y PROLINE         ? 'C5 H9 N O2'     115.130 
SER 'L-peptide linking' y SERINE          ? 'C3 H7 N O3'     105.093 
THR 'L-peptide linking' y THREONINE       ? 'C4 H9 N O3'     119.119 
TRP 'L-peptide linking' y TRYPTOPHAN      ? 'C11 H12 N2 O2'  204.225 
VAL 'L-peptide linking' y VALINE          ? 'C5 H11 N O2'    117.146 
# 
loop_
_pdbx_poly_seq_scheme.asym_id 
_pdbx_poly_seq_scheme.entity_id 
_pdbx_poly_seq_scheme.seq_id 
_pdbx_poly_seq_scheme.mon_id 
_pdbx_poly_seq_scheme.ndb_seq_num 
_pdbx_poly_seq_scheme.pdb_seq_num 
_pdbx_poly_seq_scheme.auth_seq_num 
_pdbx_poly_seq_scheme.pdb_mon_id 
_pdbx_poly_seq_scheme.auth_mon_id 
_pdbx_poly_seq_scheme.pdb_strand_id 
_pdbx_poly_seq_scheme.pdb_ins_code 
_pdbx_poly_seq_scheme.hetero 
A 1 1  GLY 1  -1 ?  ?   ?   A . n 
A 1 2  HIS 2  0  ?  ?   ?   A . n 
A 1 3  MET 3  1  ?  ?   ?   A . n 
A 1 4  ALA 4  2  ?  ?   ?   A . n 
A 1 5  SER 5  3  ?  ?   ?   A . n 
A 1 6  GLN 6  4  ?  ?   ?   A . n 
A 1 7  CYS 7  5  ?  ?   ?   A . n 
A 1 8  PRO 8  6  6  PRO PRO A . n 
A 1 9  VAL 9  7  7  VAL VAL A . n 
A 1 10 LYS 10 8  8  LYS LYS A . n 
A 1 11 ASN 11 9  9  ASN ASN A . n 
A 1 12 SER 12 10 10 SER SER A . n 
A 1 13 TRP 13 11 11 TRP TRP A . n 
A 1 14 PRO 14 12 12 PRO PRO A . n 
A 1 15 GLU 15 13 13 GLU GLU A . n 
A 1 16 LEU 16 14 14 LEU LEU A . n 
A 1 17 VAL 17 15 15 VAL VAL A . n 
A 1 18 GLY 18 16 16 GLY GLY A . n 
A 1 19 THR 19 17 17 THR THR A . n 
A 1 20 ASN 20 18 18 ASN ASN A . n 
A 1 21 GLY 21 19 19 GLY GLY A . n 
A 1 22 ASP 22 20 20 ASP ASP A . n 
A 1 23 ILE 23 21 21 ILE ILE A . n 
A 1 24 ALA 24 22 22 ALA ALA A . n 
A 1 25 ALA 25 23 23 ALA ALA A . n 
A 1 26 GLY 26 24 24 GLY GLY A . n 
A 1 27 ILE 27 25 25 ILE ILE A . n 
A 1 28 ILE 28 26 26 ILE ILE A . n 
A 1 29 GLN 29 27 27 GLN GLN A . n 
A 1 30 THR 30 28 28 THR THR A . n 
A 1 31 GLU 31 29 29 GLU GLU A . n 
A 1 32 ASN 32 30 30 ASN ASN A . n 
A 1 33 ALA 33 31 31 ALA ALA A . n 
A 1 34 ASN 34 32 32 ASN ASN A . n 
A 1 35 VAL 35 33 33 VAL VAL A . n 
A 1 36 LYS 36 34 34 LYS LYS A . n 
A 1 37 ALA 37 35 35 ALA ALA A . n 
A 1 38 ILE 38 36 36 ILE ILE A . n 
A 1 39 VAL 39 37 37 VAL VAL A . n 
A 1 40 VAL 40 38 38 VAL VAL A . n 
A 1 41 LYS 41 39 39 LYS LYS A . n 
A 1 42 GLU 42 40 40 GLU GLU A . n 
A 1 43 GLY 43 41 41 GLY GLY A . n 
A 1 44 LEU 44 42 42 LEU LEU A . n 
A 1 45 PRO 45 43 43 PRO PRO A . n 
A 1 46 ILE 46 44 44 ILE ILE A . n 
A 1 47 THR 47 45 45 THR THR A . n 
A 1 48 GLN 48 46 46 GLN GLN A . n 
A 1 49 ASP 49 47 47 ASP ASP A . n 
A 1 50 LEU 50 48 48 LEU LEU A . n 
A 1 51 ASN 51 49 49 ASN ASN A . n 
A 1 52 PHE 52 50 50 PHE PHE A . n 
A 1 53 ASN 53 51 51 ASN ASN A . n 
A 1 54 ARG 54 52 52 ARG ARG A . n 
A 1 55 VAL 55 53 53 VAL VAL A . n 
A 1 56 ARG 56 54 54 ARG ARG A . n 
A 1 57 VAL 57 55 55 VAL VAL A . n 
A 1 58 PHE 58 56 56 PHE PHE A . n 
A 1 59 VAL 59 57 57 VAL VAL A . n 
A 1 60 ASP 60 58 58 ASP ASP A . n 
A 1 61 GLU 61 59 59 GLU GLU A . n 
A 1 62 ASN 62 60 60 ASN ASN A . n 
A 1 63 ARG 63 61 61 ARG ARG A . n 
A 1 64 VAL 64 62 62 VAL VAL A . n 
A 1 65 VAL 65 63 63 VAL VAL A . n 
A 1 66 THR 66 64 64 THR THR A . n 
A 1 67 GLN 67 65 65 GLN GLN A . n 
A 1 68 VAL 68 66 66 VAL VAL A . n 
A 1 69 PRO 69 67 67 PRO PRO A . n 
A 1 70 ALA 70 68 68 ALA ALA A . n 
A 1 71 ILE 71 69 69 ILE ILE A . n 
A 1 72 GLY 72 70 70 GLY GLY A . n 
# 
loop_
_pdbx_nonpoly_scheme.asym_id 
_pdbx_nonpoly_scheme.entity_id 
_pdbx_nonpoly_scheme.mon_id 
_pdbx_nonpoly_scheme.ndb_seq_num 
_pdbx_nonpoly_scheme.pdb_seq_num 
_pdbx_nonpoly_scheme.auth_seq_num 
_pdbx_nonpoly_scheme.pdb_mon_id 
_pdbx_nonpoly_scheme.auth_mon_id 
_pdbx_nonpoly_scheme.pdb_strand_id 
_pdbx_nonpoly_scheme.pdb_ins_code 
B 2 HOH 1  101 17 HOH HOH A . 
B 2 HOH 2  102 30 HOH HOH A . 
B 2 HOH 3  103 18 HOH HOH A . 
B 2 HOH 4  104 42 HOH HOH A . 
B 2 HOH 5  105 15 HOH HOH A . 
B 2 HOH 6  106 43 HOH HOH A . 
B 2 HOH 7  107 5  HOH HOH A . 
B 2 HOH 8  108 3  HOH HOH A . 
B 2 HOH 9  109 11 HOH HOH A . 
B 2 HOH 10 110 1  HOH HOH A . 
B 2 HOH 11 111 4  HOH HOH A . 
B 2 HOH 12 112 19 HOH HOH A . 
B 2 HOH 13 113 7  HOH HOH A . 
B 2 HOH 14 114 24 HOH HOH A . 
B 2 HOH 15 115 39 HOH HOH A . 
B 2 HOH 16 116 2  HOH HOH A . 
B 2 HOH 17 117 8  HOH HOH A . 
B 2 HOH 18 118 35 HOH HOH A . 
B 2 HOH 19 119 29 HOH HOH A . 
B 2 HOH 20 120 26 HOH HOH A . 
B 2 HOH 21 121 23 HOH HOH A . 
B 2 HOH 22 122 20 HOH HOH A . 
B 2 HOH 23 123 32 HOH HOH A . 
B 2 HOH 24 124 34 HOH HOH A . 
B 2 HOH 25 125 6  HOH HOH A . 
B 2 HOH 26 126 13 HOH HOH A . 
B 2 HOH 27 127 28 HOH HOH A . 
B 2 HOH 28 128 36 HOH HOH A . 
B 2 HOH 29 129 31 HOH HOH A . 
B 2 HOH 30 130 16 HOH HOH A . 
B 2 HOH 31 131 27 HOH HOH A . 
B 2 HOH 32 132 10 HOH HOH A . 
B 2 HOH 33 133 12 HOH HOH A . 
B 2 HOH 34 134 14 HOH HOH A . 
B 2 HOH 35 135 21 HOH HOH A . 
B 2 HOH 36 136 41 HOH HOH A . 
B 2 HOH 37 137 38 HOH HOH A . 
B 2 HOH 38 138 45 HOH HOH A . 
B 2 HOH 39 139 40 HOH HOH A . 
B 2 HOH 40 140 37 HOH HOH A . 
B 2 HOH 41 141 33 HOH HOH A . 
B 2 HOH 42 142 25 HOH HOH A . 
B 2 HOH 43 143 44 HOH HOH A . 
B 2 HOH 44 144 22 HOH HOH A . 
# 
loop_
_software.citation_id 
_software.classification 
_software.compiler_name 
_software.compiler_version 
_software.contact_author 
_software.contact_author_email 
_software.date 
_software.description 
_software.dependencies 
_software.hardware 
_software.language 
_software.location 
_software.mods 
_software.name 
_software.os 
_software.os_version 
_software.type 
_software.version 
_software.pdbx_ordinal 
? refinement       ? ? ? ? ? ? ? ? ? ? ? PHENIX ? ? ? 5463 1 
? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? XDS    ? ? ? .    2 
? 'data scaling'   ? ? ? ? ? ? ? ? ? ? ? SCALA  ? ? ? .    3 
? phasing          ? ? ? ? ? ? ? ? ? ? ? PHASER ? ? ? .    4 
# 
_cell.angle_alpha                  90.000 
_cell.angle_alpha_esd              ? 
_cell.angle_beta                   90.000 
_cell.angle_beta_esd               ? 
_cell.angle_gamma                  120.000 
_cell.angle_gamma_esd              ? 
_cell.entry_id                     9BLJ 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     47.506 
_cell.length_a_esd                 ? 
_cell.length_b                     47.506 
_cell.length_b_esd                 ? 
_cell.length_c                     95.927 
_cell.length_c_esd                 ? 
_cell.volume                       187485.819 
_cell.volume_esd                   ? 
_cell.Z_PDB                        12 
_cell.reciprocal_angle_alpha       ? 
_cell.reciprocal_angle_beta        ? 
_cell.reciprocal_angle_gamma       ? 
_cell.reciprocal_angle_alpha_esd   ? 
_cell.reciprocal_angle_beta_esd    ? 
_cell.reciprocal_angle_gamma_esd   ? 
_cell.reciprocal_length_a          ? 
_cell.reciprocal_length_b          ? 
_cell.reciprocal_length_c          ? 
_cell.reciprocal_length_a_esd      ? 
_cell.reciprocal_length_b_esd      ? 
_cell.reciprocal_length_c_esd      ? 
_cell.pdbx_unique_axis             ? 
_cell.pdbx_esd_method              ? 
# 
_symmetry.entry_id                         9BLJ 
_symmetry.cell_setting                     ? 
_symmetry.Int_Tables_number                178 
_symmetry.space_group_name_Hall            'P 61 2 (x,y,z+5/12)' 
_symmetry.space_group_name_H-M             'P 61 2 2' 
_symmetry.pdbx_full_space_group_name_H-M   ? 
# 
_exptl.absorpt_coefficient_mu     ? 
_exptl.absorpt_correction_T_max   ? 
_exptl.absorpt_correction_T_min   ? 
_exptl.absorpt_correction_type    ? 
_exptl.absorpt_process_details    ? 
_exptl.entry_id                   9BLJ 
_exptl.crystals_number            1 
_exptl.details                    ? 
_exptl.method                     'X-RAY DIFFRACTION' 
_exptl.method_details             ? 
# 
_exptl_crystal.colour                       ? 
_exptl_crystal.density_diffrn               ? 
_exptl_crystal.density_Matthews             2.07 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          40.63 
_exptl_crystal.description                  Needles 
_exptl_crystal.F_000                        ? 
_exptl_crystal.id                           1 
_exptl_crystal.preparation                  ? 
_exptl_crystal.size_max                     ? 
_exptl_crystal.size_mid                     ? 
_exptl_crystal.size_min                     ? 
_exptl_crystal.size_rad                     ? 
_exptl_crystal.colour_lustre                ? 
_exptl_crystal.colour_modifier              ? 
_exptl_crystal.colour_primary               ? 
_exptl_crystal.density_meas                 ? 
_exptl_crystal.density_meas_esd             ? 
_exptl_crystal.density_meas_gt              ? 
_exptl_crystal.density_meas_lt              ? 
_exptl_crystal.density_meas_temp            ? 
_exptl_crystal.density_meas_temp_esd        ? 
_exptl_crystal.density_meas_temp_gt         ? 
_exptl_crystal.density_meas_temp_lt         ? 
_exptl_crystal.pdbx_crystal_image_url       ? 
_exptl_crystal.pdbx_crystal_image_format    ? 
_exptl_crystal.pdbx_mosaicity               ? 
_exptl_crystal.pdbx_mosaicity_esd           ? 
_exptl_crystal.pdbx_mosaic_method           ? 
_exptl_crystal.pdbx_mosaic_block_size       ? 
_exptl_crystal.pdbx_mosaic_block_size_esd   ? 
# 
_exptl_crystal_grow.apparatus       ? 
_exptl_crystal_grow.atmosphere      ? 
_exptl_crystal_grow.crystal_id      1 
_exptl_crystal_grow.details         ? 
_exptl_crystal_grow.method          'VAPOR DIFFUSION' 
_exptl_crystal_grow.method_ref      ? 
_exptl_crystal_grow.pH              6.5 
_exptl_crystal_grow.pressure        ? 
_exptl_crystal_grow.pressure_esd    ? 
_exptl_crystal_grow.seeding         ? 
_exptl_crystal_grow.seeding_ref     ? 
_exptl_crystal_grow.temp_details    Constant 
_exptl_crystal_grow.temp_esd        ? 
_exptl_crystal_grow.time            ? 
_exptl_crystal_grow.pdbx_details    
;Solution 18 Crystal Screen 1: containing 0.2 M Magnesium acetate, 0.1 M Sodium cacodylate at pH 6.5, and 20% w/v Polyethylene glycol 8,000
;
_exptl_crystal_grow.pdbx_pH_range   ? 
_exptl_crystal_grow.temp            291 
# 
_diffrn.ambient_environment              ? 
_diffrn.ambient_temp                     100 
_diffrn.ambient_temp_details             ? 
_diffrn.ambient_temp_esd                 ? 
_diffrn.crystal_id                       1 
_diffrn.crystal_support                  ? 
_diffrn.crystal_treatment                ? 
_diffrn.details                          ? 
_diffrn.id                               1 
_diffrn.ambient_pressure                 ? 
_diffrn.ambient_pressure_esd             ? 
_diffrn.ambient_pressure_gt              ? 
_diffrn.ambient_pressure_lt              ? 
_diffrn.ambient_temp_gt                  ? 
_diffrn.ambient_temp_lt                  ? 
_diffrn.pdbx_serial_crystal_experiment   N 
# 
_diffrn_detector.details                      'OSMIC VARIMAX OPTICS' 
_diffrn_detector.detector                     PIXEL 
_diffrn_detector.diffrn_id                    1 
_diffrn_detector.type                         'DECTRIS PILATUS 200K' 
_diffrn_detector.area_resol_mean              ? 
_diffrn_detector.dtime                        ? 
_diffrn_detector.pdbx_frames_total            ? 
_diffrn_detector.pdbx_collection_time_total   ? 
_diffrn_detector.pdbx_collection_date         2022-05-02 
_diffrn_detector.pdbx_frequency               ? 
_diffrn_detector.id                           ? 
_diffrn_detector.number_of_axes               ? 
# 
_diffrn_radiation.collimation                      ? 
_diffrn_radiation.diffrn_id                        1 
_diffrn_radiation.filter_edge                      ? 
_diffrn_radiation.inhomogeneity                    ? 
_diffrn_radiation.monochromator                    ? 
_diffrn_radiation.polarisn_norm                    ? 
_diffrn_radiation.polarisn_ratio                   ? 
_diffrn_radiation.probe                            ? 
_diffrn_radiation.type                             ? 
_diffrn_radiation.xray_symbol                      ? 
_diffrn_radiation.wavelength_id                    1 
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l   M 
_diffrn_radiation.pdbx_wavelength_list             ? 
_diffrn_radiation.pdbx_wavelength                  ? 
_diffrn_radiation.pdbx_diffrn_protocol             'SINGLE WAVELENGTH' 
_diffrn_radiation.pdbx_analyzer                    ? 
_diffrn_radiation.pdbx_scattering_type             x-ray 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   1.54 
_diffrn_radiation_wavelength.wt           1.0 
# 
_diffrn_source.current                     ? 
_diffrn_source.details                     ? 
_diffrn_source.diffrn_id                   1 
_diffrn_source.power                       ? 
_diffrn_source.size                        ? 
_diffrn_source.source                      'ROTATING ANODE' 
_diffrn_source.target                      ? 
_diffrn_source.type                        'RIGAKU MICROMAX-007 HF' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        1.54 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   ? 
_diffrn_source.pdbx_synchrotron_site       ? 
# 
_reflns.B_iso_Wilson_estimate                          22.80 
_reflns.entry_id                                       9BLJ 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              1.74 
_reflns.d_resolution_low                               47.96 
_reflns.details                                        ? 
_reflns.limit_h_max                                    ? 
_reflns.limit_h_min                                    ? 
_reflns.limit_k_max                                    ? 
_reflns.limit_k_min                                    ? 
_reflns.limit_l_max                                    ? 
_reflns.limit_l_min                                    ? 
_reflns.number_all                                     ? 
_reflns.number_obs                                     7132 
_reflns.observed_criterion                             ? 
_reflns.observed_criterion_F_max                       ? 
_reflns.observed_criterion_F_min                       ? 
_reflns.observed_criterion_I_max                       ? 
_reflns.observed_criterion_I_min                       ? 
_reflns.observed_criterion_sigma_F                     ? 
_reflns.observed_criterion_sigma_I                     ? 
_reflns.percent_possible_obs                           100 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                8.7 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          23.8 
_reflns.pdbx_res_netI_over_av_sigmaI_2                 ? 
_reflns.pdbx_res_netI_over_sigmaI_2                    ? 
_reflns.pdbx_chi_squared                               ? 
_reflns.pdbx_scaling_rejects                           ? 
_reflns.pdbx_d_res_high_opt                            ? 
_reflns.pdbx_d_res_low_opt                             ? 
_reflns.pdbx_d_res_opt_method                          ? 
_reflns.phase_calculation_details                      ? 
_reflns.pdbx_Rrim_I_all                                0.047 
_reflns.pdbx_Rpim_I_all                                0.014 
_reflns.pdbx_d_opt                                     ? 
_reflns.pdbx_number_measured_all                       ? 
_reflns.pdbx_diffrn_id                                 1 
_reflns.pdbx_ordinal                                   1 
_reflns.pdbx_CC_half                                   1.0 
_reflns.pdbx_CC_star                                   ? 
_reflns.pdbx_R_split                                   ? 
_reflns.pdbx_Rmerge_I_obs                              0.045 
_reflns.pdbx_Rmerge_I_all                              ? 
_reflns.pdbx_Rsym_value                                ? 
_reflns.pdbx_CC_split_method                           ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_1                 ? 
_reflns.pdbx_aniso_diffraction_limit_2                 ? 
_reflns.pdbx_aniso_diffraction_limit_3                 ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_1               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_2               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_3               ? 
_reflns.pdbx_orthogonalization_convention              ? 
_reflns.pdbx_percent_possible_ellipsoidal              ? 
_reflns.pdbx_percent_possible_spherical                ? 
_reflns.pdbx_percent_possible_ellipsoidal_anomalous    ? 
_reflns.pdbx_percent_possible_spherical_anomalous      ? 
_reflns.pdbx_redundancy_anomalous                      ? 
_reflns.pdbx_CC_half_anomalous                         ? 
_reflns.pdbx_absDiff_over_sigma_anomalous              ? 
_reflns.pdbx_percent_possible_anomalous                ? 
_reflns.pdbx_observed_signal_threshold                 ? 
_reflns.pdbx_signal_type                               ? 
_reflns.pdbx_signal_details                            ? 
_reflns.pdbx_signal_software_id                        ? 
# 
_reflns_shell.d_res_high                                    1.74 
_reflns_shell.d_res_low                                     1.76 
_reflns_shell.meanI_over_sigI_all                           ? 
_reflns_shell.meanI_over_sigI_obs                           0.876 
_reflns_shell.number_measured_all                           ? 
_reflns_shell.number_measured_obs                           ? 
_reflns_shell.number_possible                               ? 
_reflns_shell.number_unique_all                             ? 
_reflns_shell.number_unique_obs                             386 
_reflns_shell.percent_possible_obs                          ? 
_reflns_shell.Rmerge_F_all                                  ? 
_reflns_shell.Rmerge_F_obs                                  ? 
_reflns_shell.meanI_over_sigI_gt                            ? 
_reflns_shell.meanI_over_uI_all                             ? 
_reflns_shell.meanI_over_uI_gt                              ? 
_reflns_shell.number_measured_gt                            ? 
_reflns_shell.number_unique_gt                              ? 
_reflns_shell.percent_possible_gt                           ? 
_reflns_shell.Rmerge_F_gt                                   ? 
_reflns_shell.Rmerge_I_gt                                   ? 
_reflns_shell.pdbx_redundancy                               ? 
_reflns_shell.pdbx_chi_squared                              ? 
_reflns_shell.pdbx_netI_over_sigmaI_all                     ? 
_reflns_shell.pdbx_netI_over_sigmaI_obs                     ? 
_reflns_shell.pdbx_Rrim_I_all                               0.522 
_reflns_shell.pdbx_Rpim_I_all                               0.279 
_reflns_shell.pdbx_rejects                                  ? 
_reflns_shell.pdbx_ordinal                                  1 
_reflns_shell.pdbx_diffrn_id                                1 
_reflns_shell.pdbx_CC_half                                  0.88 
_reflns_shell.pdbx_CC_star                                  ? 
_reflns_shell.pdbx_R_split                                  ? 
_reflns_shell.percent_possible_all                          ? 
_reflns_shell.Rmerge_I_all                                  ? 
_reflns_shell.Rmerge_I_obs                                  0.43 
_reflns_shell.pdbx_Rsym_value                               ? 
_reflns_shell.pdbx_percent_possible_ellipsoidal             ? 
_reflns_shell.pdbx_percent_possible_spherical               ? 
_reflns_shell.pdbx_percent_possible_ellipsoidal_anomalous   ? 
_reflns_shell.pdbx_percent_possible_spherical_anomalous     ? 
_reflns_shell.pdbx_redundancy_anomalous                     ? 
_reflns_shell.pdbx_CC_half_anomalous                        ? 
_reflns_shell.pdbx_absDiff_over_sigma_anomalous             ? 
_reflns_shell.pdbx_percent_possible_anomalous               ? 
# 
_refine.aniso_B[1][1]                            ? 
_refine.aniso_B[1][2]                            ? 
_refine.aniso_B[1][3]                            ? 
_refine.aniso_B[2][2]                            ? 
_refine.aniso_B[2][3]                            ? 
_refine.aniso_B[3][3]                            ? 
_refine.B_iso_max                                ? 
_refine.B_iso_mean                               29.64 
_refine.B_iso_min                                ? 
_refine.correlation_coeff_Fo_to_Fc               ? 
_refine.correlation_coeff_Fo_to_Fc_free          ? 
_refine.details                                  ? 
_refine.diff_density_max                         ? 
_refine.diff_density_max_esd                     ? 
_refine.diff_density_min                         ? 
_refine.diff_density_min_esd                     ? 
_refine.diff_density_rms                         ? 
_refine.diff_density_rms_esd                     ? 
_refine.entry_id                                 9BLJ 
_refine.pdbx_refine_id                           'X-RAY DIFFRACTION' 
_refine.ls_abs_structure_details                 ? 
_refine.ls_abs_structure_Flack                   ? 
_refine.ls_abs_structure_Flack_esd               ? 
_refine.ls_abs_structure_Rogers                  ? 
_refine.ls_abs_structure_Rogers_esd              ? 
_refine.ls_d_res_high                            1.74 
_refine.ls_d_res_low                             25.25 
_refine.ls_extinction_coef                       ? 
_refine.ls_extinction_coef_esd                   ? 
_refine.ls_extinction_expression                 ? 
_refine.ls_extinction_method                     ? 
_refine.ls_goodness_of_fit_all                   ? 
_refine.ls_goodness_of_fit_all_esd               ? 
_refine.ls_goodness_of_fit_obs                   ? 
_refine.ls_goodness_of_fit_obs_esd               ? 
_refine.ls_hydrogen_treatment                    ? 
_refine.ls_matrix_type                           ? 
_refine.ls_number_constraints                    ? 
_refine.ls_number_parameters                     ? 
_refine.ls_number_reflns_all                     ? 
_refine.ls_number_reflns_obs                     7086 
_refine.ls_number_reflns_R_free                  674 
_refine.ls_number_reflns_R_work                  6412 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    99.93 
_refine.ls_percent_reflns_R_free                 9.51 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_obs                          0.1988 
_refine.ls_R_factor_R_free                       0.2128 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.1973 
_refine.ls_R_Fsqd_factor_obs                     ? 
_refine.ls_R_I_factor_obs                        ? 
_refine.ls_redundancy_reflns_all                 ? 
_refine.ls_redundancy_reflns_obs                 ? 
_refine.ls_restrained_S_all                      ? 
_refine.ls_restrained_S_obs                      ? 
_refine.ls_shift_over_esd_max                    ? 
_refine.ls_shift_over_esd_mean                   ? 
_refine.ls_structure_factor_coef                 ? 
_refine.ls_weighting_details                     ? 
_refine.ls_weighting_scheme                      ? 
_refine.ls_wR_factor_all                         ? 
_refine.ls_wR_factor_obs                         ? 
_refine.ls_wR_factor_R_free                      ? 
_refine.ls_wR_factor_R_work                      ? 
_refine.occupancy_max                            ? 
_refine.occupancy_min                            ? 
_refine.solvent_model_details                    'FLAT BULK SOLVENT MODEL' 
_refine.solvent_model_param_bsol                 ? 
_refine.solvent_model_param_ksol                 ? 
_refine.pdbx_R_complete                          ? 
_refine.ls_R_factor_gt                           ? 
_refine.ls_goodness_of_fit_gt                    ? 
_refine.ls_goodness_of_fit_ref                   ? 
_refine.ls_shift_over_su_max                     ? 
_refine.ls_shift_over_su_max_lt                  ? 
_refine.ls_shift_over_su_mean                    ? 
_refine.ls_shift_over_su_mean_lt                 ? 
_refine.pdbx_ls_sigma_I                          ? 
_refine.pdbx_ls_sigma_F                          1.36 
_refine.pdbx_ls_sigma_Fsqd                       ? 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_high_rms_absF           ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.pdbx_ls_cross_valid_method               'FREE R-VALUE' 
_refine.pdbx_method_to_determine_struct          'MOLECULAR REPLACEMENT' 
_refine.pdbx_starting_model                      ? 
_refine.pdbx_stereochemistry_target_values       'GeoStd + Monomer Library + CDL v1.2' 
_refine.pdbx_R_Free_selection_details            ? 
_refine.pdbx_stereochem_target_val_spec_case     ? 
_refine.pdbx_overall_ESU_R                       ? 
_refine.pdbx_overall_ESU_R_Free                  ? 
_refine.pdbx_solvent_vdw_probe_radii             1.1000 
_refine.pdbx_solvent_ion_probe_radii             ? 
_refine.pdbx_solvent_shrinkage_radii             0.9000 
_refine.pdbx_real_space_R                        ? 
_refine.pdbx_density_correlation                 ? 
_refine.pdbx_pd_number_of_powder_patterns        ? 
_refine.pdbx_pd_number_of_points                 ? 
_refine.pdbx_pd_meas_number_of_points            ? 
_refine.pdbx_pd_proc_ls_prof_R_factor            ? 
_refine.pdbx_pd_proc_ls_prof_wR_factor           ? 
_refine.pdbx_pd_Marquardt_correlation_coeff      ? 
_refine.pdbx_pd_Fsqrd_R_factor                   ? 
_refine.pdbx_pd_ls_matrix_band_width             ? 
_refine.pdbx_overall_phase_error                 20.7791 
_refine.pdbx_overall_SU_R_free_Cruickshank_DPI   ? 
_refine.pdbx_overall_SU_R_free_Blow_DPI          ? 
_refine.pdbx_overall_SU_R_Blow_DPI               ? 
_refine.pdbx_TLS_residual_ADP_flag               ? 
_refine.pdbx_diffrn_id                           1 
_refine.overall_SU_B                             ? 
_refine.overall_SU_ML                            0.1153 
_refine.overall_SU_R_Cruickshank_DPI             ? 
_refine.overall_SU_R_free                        ? 
_refine.overall_FOM_free_R_set                   ? 
_refine.overall_FOM_work_R_set                   ? 
_refine.pdbx_average_fsc_overall                 ? 
_refine.pdbx_average_fsc_work                    ? 
_refine.pdbx_average_fsc_free                    ? 
# 
_refine_hist.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_hist.cycle_id                         LAST 
_refine_hist.details                          ? 
_refine_hist.d_res_high                       1.74 
_refine_hist.d_res_low                        25.25 
_refine_hist.number_atoms_solvent             44 
_refine_hist.number_atoms_total               540 
_refine_hist.number_reflns_all                ? 
_refine_hist.number_reflns_obs                ? 
_refine_hist.number_reflns_R_free             ? 
_refine_hist.number_reflns_R_work             ? 
_refine_hist.R_factor_all                     ? 
_refine_hist.R_factor_obs                     ? 
_refine_hist.R_factor_R_free                  ? 
_refine_hist.R_factor_R_work                  ? 
_refine_hist.pdbx_number_residues_total       ? 
_refine_hist.pdbx_B_iso_mean_ligand           ? 
_refine_hist.pdbx_B_iso_mean_solvent          ? 
_refine_hist.pdbx_number_atoms_protein        496 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         0 
_refine_hist.pdbx_number_atoms_lipid          ? 
_refine_hist.pdbx_number_atoms_carb           ? 
_refine_hist.pdbx_pseudo_atom_details         ? 
# 
loop_
_refine_ls_restr.pdbx_refine_id 
_refine_ls_restr.criterion 
_refine_ls_restr.dev_ideal 
_refine_ls_restr.dev_ideal_target 
_refine_ls_restr.number 
_refine_ls_restr.rejects 
_refine_ls_restr.type 
_refine_ls_restr.weight 
_refine_ls_restr.pdbx_restraint_function 
'X-RAY DIFFRACTION' ? 0.0136 ? 503 ? f_bond_d           ? ? 
'X-RAY DIFFRACTION' ? 1.2349 ? 687 ? f_angle_d          ? ? 
'X-RAY DIFFRACTION' ? 0.0809 ? 84  ? f_chiral_restr     ? ? 
'X-RAY DIFFRACTION' ? 0.0082 ? 91  ? f_plane_restr      ? ? 
'X-RAY DIFFRACTION' ? 9.4283 ? 185 ? f_dihedral_angle_d ? ? 
# 
loop_
_refine_ls_shell.pdbx_refine_id 
_refine_ls_shell.d_res_high 
_refine_ls_shell.d_res_low 
_refine_ls_shell.number_reflns_all 
_refine_ls_shell.number_reflns_obs 
_refine_ls_shell.number_reflns_R_free 
_refine_ls_shell.number_reflns_R_work 
_refine_ls_shell.percent_reflns_obs 
_refine_ls_shell.percent_reflns_R_free 
_refine_ls_shell.R_factor_all 
_refine_ls_shell.R_factor_obs 
_refine_ls_shell.R_factor_R_free_error 
_refine_ls_shell.R_factor_R_work 
_refine_ls_shell.redundancy_reflns_all 
_refine_ls_shell.redundancy_reflns_obs 
_refine_ls_shell.wR_factor_all 
_refine_ls_shell.wR_factor_obs 
_refine_ls_shell.wR_factor_R_free 
_refine_ls_shell.wR_factor_R_work 
_refine_ls_shell.pdbx_R_complete 
_refine_ls_shell.pdbx_total_number_of_bins_used 
_refine_ls_shell.pdbx_phase_error 
_refine_ls_shell.pdbx_fsc_work 
_refine_ls_shell.pdbx_fsc_free 
_refine_ls_shell.R_factor_R_free 
'X-RAY DIFFRACTION' 1.74 1.87 . . 130 1231 99.85  . . . . 0.2001 . . . . . . . . . . . 0.2397 
'X-RAY DIFFRACTION' 1.87 2.06 . . 131 1254 99.86  . . . . 0.1904 . . . . . . . . . . . 0.2510 
'X-RAY DIFFRACTION' 2.06 2.36 . . 132 1257 100.00 . . . . 0.1811 . . . . . . . . . . . 0.2127 
'X-RAY DIFFRACTION' 2.36 2.97 . . 134 1286 100.00 . . . . 0.2218 . . . . . . . . . . . 0.2308 
# 
_struct.entry_id                     9BLJ 
_struct.title                        'Crystal structure of a serine protease inhibitor HPI from Hevea brasiliensis' 
_struct.pdbx_model_details           ? 
_struct.pdbx_formula_weight          ? 
_struct.pdbx_formula_weight_method   ? 
_struct.pdbx_model_type_details      ? 
_struct.pdbx_CASP_flag               N 
# 
_struct_keywords.entry_id        9BLJ 
_struct_keywords.text            'Serine protease inhibitor, PLANT PROTEIN' 
_struct_keywords.pdbx_keywords   'PLANT PROTEIN' 
# 
loop_
_struct_asym.id 
_struct_asym.pdbx_blank_PDB_chainid_flag 
_struct_asym.pdbx_modified 
_struct_asym.entity_id 
_struct_asym.details 
A N N 1 ? 
B N N 2 ? 
# 
_struct_ref.id                         1 
_struct_ref.db_name                    UNP 
_struct_ref.db_code                    HPI_HEVBR 
_struct_ref.pdbx_db_accession          Q6XNP7 
_struct_ref.pdbx_db_isoform            ? 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_seq_one_letter_code   MASQCPVKNSWPELVGTNGDIAAGIIQTENANVKAIVVKEGLPITQDLNFNRVRVFVDENRVVTQVPAIG 
_struct_ref.pdbx_align_begin           1 
# 
_struct_ref_seq.align_id                      1 
_struct_ref_seq.ref_id                        1 
_struct_ref_seq.pdbx_PDB_id_code              9BLJ 
_struct_ref_seq.pdbx_strand_id                A 
_struct_ref_seq.seq_align_beg                 3 
_struct_ref_seq.pdbx_seq_align_beg_ins_code   ? 
_struct_ref_seq.seq_align_end                 72 
_struct_ref_seq.pdbx_seq_align_end_ins_code   ? 
_struct_ref_seq.pdbx_db_accession             Q6XNP7 
_struct_ref_seq.db_align_beg                  1 
_struct_ref_seq.pdbx_db_align_beg_ins_code    ? 
_struct_ref_seq.db_align_end                  70 
_struct_ref_seq.pdbx_db_align_end_ins_code    ? 
_struct_ref_seq.pdbx_auth_seq_align_beg       1 
_struct_ref_seq.pdbx_auth_seq_align_end       70 
# 
loop_
_struct_ref_seq_dif.align_id 
_struct_ref_seq_dif.pdbx_pdb_id_code 
_struct_ref_seq_dif.mon_id 
_struct_ref_seq_dif.pdbx_pdb_strand_id 
_struct_ref_seq_dif.seq_num 
_struct_ref_seq_dif.pdbx_pdb_ins_code 
_struct_ref_seq_dif.pdbx_seq_db_name 
_struct_ref_seq_dif.pdbx_seq_db_accession_code 
_struct_ref_seq_dif.db_mon_id 
_struct_ref_seq_dif.pdbx_seq_db_seq_num 
_struct_ref_seq_dif.details 
_struct_ref_seq_dif.pdbx_auth_seq_num 
_struct_ref_seq_dif.pdbx_ordinal 
1 9BLJ GLY A 1 ? UNP Q6XNP7 ? ? 'expression tag' -1 1 
1 9BLJ HIS A 2 ? UNP Q6XNP7 ? ? 'expression tag' 0  2 
# 
_pdbx_struct_assembly.id                   1 
_pdbx_struct_assembly.details              author_defined_assembly 
_pdbx_struct_assembly.method_details       ? 
_pdbx_struct_assembly.oligomeric_details   monomeric 
_pdbx_struct_assembly.oligomeric_count     1 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1 
_pdbx_struct_assembly_gen.asym_id_list      A,B 
# 
_pdbx_struct_oper_list.id                   1 
_pdbx_struct_oper_list.type                 'identity operation' 
_pdbx_struct_oper_list.name                 1_555 
_pdbx_struct_oper_list.symmetry_operation   x,y,z 
_pdbx_struct_oper_list.matrix[1][1]         1.0000000000 
_pdbx_struct_oper_list.matrix[1][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[1][3]         0.0000000000 
_pdbx_struct_oper_list.vector[1]            0.0000000000 
_pdbx_struct_oper_list.matrix[2][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[2][2]         1.0000000000 
_pdbx_struct_oper_list.matrix[2][3]         0.0000000000 
_pdbx_struct_oper_list.vector[2]            0.0000000000 
_pdbx_struct_oper_list.matrix[3][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][3]         1.0000000000 
_pdbx_struct_oper_list.vector[3]            0.0000000000 
# 
loop_
_struct_conf.conf_type_id 
_struct_conf.id 
_struct_conf.pdbx_PDB_helix_id 
_struct_conf.beg_label_comp_id 
_struct_conf.beg_label_asym_id 
_struct_conf.beg_label_seq_id 
_struct_conf.pdbx_beg_PDB_ins_code 
_struct_conf.end_label_comp_id 
_struct_conf.end_label_asym_id 
_struct_conf.end_label_seq_id 
_struct_conf.pdbx_end_PDB_ins_code 
_struct_conf.beg_auth_comp_id 
_struct_conf.beg_auth_asym_id 
_struct_conf.beg_auth_seq_id 
_struct_conf.end_auth_comp_id 
_struct_conf.end_auth_asym_id 
_struct_conf.end_auth_seq_id 
_struct_conf.pdbx_PDB_helix_class 
_struct_conf.details 
_struct_conf.pdbx_PDB_helix_length 
HELX_P HELX_P1 AA1 TRP A 13 ? VAL A 17 ? TRP A 11 VAL A 15 5 ? 5  
HELX_P HELX_P2 AA2 ASN A 20 ? ASN A 32 ? ASN A 18 ASN A 30 1 ? 13 
# 
_struct_conf_type.id          HELX_P 
_struct_conf_type.criteria    ? 
_struct_conf_type.reference   ? 
# 
_struct_sheet.id               AA1 
_struct_sheet.type             ? 
_struct_sheet.number_strands   3 
_struct_sheet.details          ? 
# 
loop_
_struct_sheet_order.sheet_id 
_struct_sheet_order.range_id_1 
_struct_sheet_order.range_id_2 
_struct_sheet_order.offset 
_struct_sheet_order.sense 
AA1 1 2 ? parallel      
AA1 2 3 ? anti-parallel 
# 
loop_
_struct_sheet_range.sheet_id 
_struct_sheet_range.id 
_struct_sheet_range.beg_label_comp_id 
_struct_sheet_range.beg_label_asym_id 
_struct_sheet_range.beg_label_seq_id 
_struct_sheet_range.pdbx_beg_PDB_ins_code 
_struct_sheet_range.end_label_comp_id 
_struct_sheet_range.end_label_asym_id 
_struct_sheet_range.end_label_seq_id 
_struct_sheet_range.pdbx_end_PDB_ins_code 
_struct_sheet_range.beg_auth_comp_id 
_struct_sheet_range.beg_auth_asym_id 
_struct_sheet_range.beg_auth_seq_id 
_struct_sheet_range.end_auth_comp_id 
_struct_sheet_range.end_auth_asym_id 
_struct_sheet_range.end_auth_seq_id 
AA1 1 LYS A 36 ? LYS A 41 ? LYS A 34 LYS A 39 
AA1 2 ASN A 51 ? VAL A 59 ? ASN A 49 VAL A 57 
AA1 3 ALA A 70 ? GLY A 72 ? ALA A 68 GLY A 70 
# 
loop_
_pdbx_struct_sheet_hbond.sheet_id 
_pdbx_struct_sheet_hbond.range_id_1 
_pdbx_struct_sheet_hbond.range_id_2 
_pdbx_struct_sheet_hbond.range_1_label_atom_id 
_pdbx_struct_sheet_hbond.range_1_label_comp_id 
_pdbx_struct_sheet_hbond.range_1_label_asym_id 
_pdbx_struct_sheet_hbond.range_1_label_seq_id 
_pdbx_struct_sheet_hbond.range_1_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_1_auth_atom_id 
_pdbx_struct_sheet_hbond.range_1_auth_comp_id 
_pdbx_struct_sheet_hbond.range_1_auth_asym_id 
_pdbx_struct_sheet_hbond.range_1_auth_seq_id 
_pdbx_struct_sheet_hbond.range_2_label_atom_id 
_pdbx_struct_sheet_hbond.range_2_label_comp_id 
_pdbx_struct_sheet_hbond.range_2_label_asym_id 
_pdbx_struct_sheet_hbond.range_2_label_seq_id 
_pdbx_struct_sheet_hbond.range_2_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_2_auth_atom_id 
_pdbx_struct_sheet_hbond.range_2_auth_comp_id 
_pdbx_struct_sheet_hbond.range_2_auth_asym_id 
_pdbx_struct_sheet_hbond.range_2_auth_seq_id 
AA1 1 2 N ILE A 38 ? N ILE A 36 O VAL A 57 ? O VAL A 55 
AA1 2 3 N ARG A 54 ? N ARG A 52 O GLY A 72 ? O GLY A 70 
# 
_pdbx_entry_details.entry_id                   9BLJ 
_pdbx_entry_details.nonpolymer_details         ? 
_pdbx_entry_details.sequence_details           ? 
_pdbx_entry_details.compound_details           
'The authors state that the first five residues were not observed in the electron density map due to flexibility.' 
_pdbx_entry_details.source_details             ? 
_pdbx_entry_details.has_ligand_of_interest     ? 
_pdbx_entry_details.has_protein_modification   N 
# 
_pdbx_struct_special_symmetry.id              1 
_pdbx_struct_special_symmetry.PDB_model_num   1 
_pdbx_struct_special_symmetry.auth_asym_id    A 
_pdbx_struct_special_symmetry.auth_comp_id    HOH 
_pdbx_struct_special_symmetry.auth_seq_id     114 
_pdbx_struct_special_symmetry.PDB_ins_code    ? 
_pdbx_struct_special_symmetry.label_asym_id   B 
_pdbx_struct_special_symmetry.label_comp_id   HOH 
_pdbx_struct_special_symmetry.label_seq_id    . 
# 
loop_
_space_group_symop.id 
_space_group_symop.operation_xyz 
1  x,y,z          
2  x-y,x,z+1/6    
3  y,-x+y,z+5/6   
4  -y,x-y,z+1/3   
5  -x+y,-x,z+2/3  
6  x-y,-y,-z      
7  -x,-x+y,-z+2/3 
8  -x,-y,z+1/2    
9  y,x,-z+1/3     
10 -y,-x,-z+5/6   
11 -x+y,y,-z+1/2  
12 x,x-y,-z+1/6   
# 
_pdbx_refine_tls.id               1 
_pdbx_refine_tls.pdbx_refine_id   'X-RAY DIFFRACTION' 
_pdbx_refine_tls.details          ? 
_pdbx_refine_tls.method           refined 
_pdbx_refine_tls.origin_x         -14.4907128123 
_pdbx_refine_tls.origin_y         11.7601010807 
_pdbx_refine_tls.origin_z         2.37295768516 
_pdbx_refine_tls.T[1][1]          0.221093574412 
_pdbx_refine_tls.T[1][1]_esd      ? 
_pdbx_refine_tls.T[1][2]          0.0151716489951 
_pdbx_refine_tls.T[1][2]_esd      ? 
_pdbx_refine_tls.T[1][3]          0.0126162972919 
_pdbx_refine_tls.T[1][3]_esd      ? 
_pdbx_refine_tls.T[2][2]          0.105525083345 
_pdbx_refine_tls.T[2][2]_esd      ? 
_pdbx_refine_tls.T[2][3]          -0.0337973888412 
_pdbx_refine_tls.T[2][3]_esd      ? 
_pdbx_refine_tls.T[3][3]          0.154866501333 
_pdbx_refine_tls.T[3][3]_esd      ? 
_pdbx_refine_tls.L[1][1]          2.00335888473 
_pdbx_refine_tls.L[1][1]_esd      ? 
_pdbx_refine_tls.L[1][2]          0.196388677548 
_pdbx_refine_tls.L[1][2]_esd      ? 
_pdbx_refine_tls.L[1][3]          0.594117029746 
_pdbx_refine_tls.L[1][3]_esd      ? 
_pdbx_refine_tls.L[2][2]          1.94551363597 
_pdbx_refine_tls.L[2][2]_esd      ? 
_pdbx_refine_tls.L[2][3]          0.136036705737 
_pdbx_refine_tls.L[2][3]_esd      ? 
_pdbx_refine_tls.L[3][3]          4.81157262152 
_pdbx_refine_tls.L[3][3]_esd      ? 
_pdbx_refine_tls.S[1][1]          -0.0147356341973 
_pdbx_refine_tls.S[1][1]_esd      ? 
_pdbx_refine_tls.S[1][2]          0.042329015578 
_pdbx_refine_tls.S[1][2]_esd      ? 
_pdbx_refine_tls.S[1][3]          0.025949285954 
_pdbx_refine_tls.S[1][3]_esd      ? 
_pdbx_refine_tls.S[2][1]          0.0429480132509 
_pdbx_refine_tls.S[2][1]_esd      ? 
_pdbx_refine_tls.S[2][2]          0.10356746698 
_pdbx_refine_tls.S[2][2]_esd      ? 
_pdbx_refine_tls.S[2][3]          -0.215428366737 
_pdbx_refine_tls.S[2][3]_esd      ? 
_pdbx_refine_tls.S[3][1]          -0.615925536716 
_pdbx_refine_tls.S[3][1]_esd      ? 
_pdbx_refine_tls.S[3][2]          0.133297218941 
_pdbx_refine_tls.S[3][2]_esd      ? 
_pdbx_refine_tls.S[3][3]          -0.0788195722334 
_pdbx_refine_tls.S[3][3]_esd      ? 
# 
_pdbx_refine_tls_group.id                  1 
_pdbx_refine_tls_group.pdbx_refine_id      'X-RAY DIFFRACTION' 
_pdbx_refine_tls_group.refine_tls_id       1 
_pdbx_refine_tls_group.beg_label_asym_id   A 
_pdbx_refine_tls_group.beg_label_seq_id    1 
_pdbx_refine_tls_group.beg_auth_asym_id    A 
_pdbx_refine_tls_group.beg_auth_seq_id     6 
_pdbx_refine_tls_group.beg_PDB_ins_code    ? 
_pdbx_refine_tls_group.end_label_asym_id   B 
_pdbx_refine_tls_group.end_label_seq_id    ? 
_pdbx_refine_tls_group.end_auth_asym_id    B 
_pdbx_refine_tls_group.end_auth_seq_id     45 
_pdbx_refine_tls_group.end_PDB_ins_code    ? 
_pdbx_refine_tls_group.selection           ? 
_pdbx_refine_tls_group.selection_details   all 
# 
loop_
_pdbx_unobs_or_zero_occ_residues.id 
_pdbx_unobs_or_zero_occ_residues.PDB_model_num 
_pdbx_unobs_or_zero_occ_residues.polymer_flag 
_pdbx_unobs_or_zero_occ_residues.occupancy_flag 
_pdbx_unobs_or_zero_occ_residues.auth_asym_id 
_pdbx_unobs_or_zero_occ_residues.auth_comp_id 
_pdbx_unobs_or_zero_occ_residues.auth_seq_id 
_pdbx_unobs_or_zero_occ_residues.PDB_ins_code 
_pdbx_unobs_or_zero_occ_residues.label_asym_id 
_pdbx_unobs_or_zero_occ_residues.label_comp_id 
_pdbx_unobs_or_zero_occ_residues.label_seq_id 
1 1 Y 1 A GLY -1 ? A GLY 1 
2 1 Y 1 A HIS 0  ? A HIS 2 
3 1 Y 1 A MET 1  ? A MET 3 
4 1 Y 1 A ALA 2  ? A ALA 4 
5 1 Y 1 A SER 3  ? A SER 5 
6 1 Y 1 A GLN 4  ? A GLN 6 
7 1 Y 1 A CYS 5  ? A CYS 7 
# 
loop_
_chem_comp_atom.comp_id 
_chem_comp_atom.atom_id 
_chem_comp_atom.type_symbol 
_chem_comp_atom.pdbx_aromatic_flag 
_chem_comp_atom.pdbx_stereo_config 
_chem_comp_atom.pdbx_ordinal 
ALA N    N N N 1   
ALA CA   C N S 2   
ALA C    C N N 3   
ALA O    O N N 4   
ALA CB   C N N 5   
ALA OXT  O N N 6   
ALA H    H N N 7   
ALA H2   H N N 8   
ALA HA   H N N 9   
ALA HB1  H N N 10  
ALA HB2  H N N 11  
ALA HB3  H N N 12  
ALA HXT  H N N 13  
ARG N    N N N 14  
ARG CA   C N S 15  
ARG C    C N N 16  
ARG O    O N N 17  
ARG CB   C N N 18  
ARG CG   C N N 19  
ARG CD   C N N 20  
ARG NE   N N N 21  
ARG CZ   C N N 22  
ARG NH1  N N N 23  
ARG NH2  N N N 24  
ARG OXT  O N N 25  
ARG H    H N N 26  
ARG H2   H N N 27  
ARG HA   H N N 28  
ARG HB2  H N N 29  
ARG HB3  H N N 30  
ARG HG2  H N N 31  
ARG HG3  H N N 32  
ARG HD2  H N N 33  
ARG HD3  H N N 34  
ARG HE   H N N 35  
ARG HH11 H N N 36  
ARG HH12 H N N 37  
ARG HH21 H N N 38  
ARG HH22 H N N 39  
ARG HXT  H N N 40  
ASN N    N N N 41  
ASN CA   C N S 42  
ASN C    C N N 43  
ASN O    O N N 44  
ASN CB   C N N 45  
ASN CG   C N N 46  
ASN OD1  O N N 47  
ASN ND2  N N N 48  
ASN OXT  O N N 49  
ASN H    H N N 50  
ASN H2   H N N 51  
ASN HA   H N N 52  
ASN HB2  H N N 53  
ASN HB3  H N N 54  
ASN HD21 H N N 55  
ASN HD22 H N N 56  
ASN HXT  H N N 57  
ASP N    N N N 58  
ASP CA   C N S 59  
ASP C    C N N 60  
ASP O    O N N 61  
ASP CB   C N N 62  
ASP CG   C N N 63  
ASP OD1  O N N 64  
ASP OD2  O N N 65  
ASP OXT  O N N 66  
ASP H    H N N 67  
ASP H2   H N N 68  
ASP HA   H N N 69  
ASP HB2  H N N 70  
ASP HB3  H N N 71  
ASP HD2  H N N 72  
ASP HXT  H N N 73  
CYS N    N N N 74  
CYS CA   C N R 75  
CYS C    C N N 76  
CYS O    O N N 77  
CYS CB   C N N 78  
CYS SG   S N N 79  
CYS OXT  O N N 80  
CYS H    H N N 81  
CYS H2   H N N 82  
CYS HA   H N N 83  
CYS HB2  H N N 84  
CYS HB3  H N N 85  
CYS HG   H N N 86  
CYS HXT  H N N 87  
GLN N    N N N 88  
GLN CA   C N S 89  
GLN C    C N N 90  
GLN O    O N N 91  
GLN CB   C N N 92  
GLN CG   C N N 93  
GLN CD   C N N 94  
GLN OE1  O N N 95  
GLN NE2  N N N 96  
GLN OXT  O N N 97  
GLN H    H N N 98  
GLN H2   H N N 99  
GLN HA   H N N 100 
GLN HB2  H N N 101 
GLN HB3  H N N 102 
GLN HG2  H N N 103 
GLN HG3  H N N 104 
GLN HE21 H N N 105 
GLN HE22 H N N 106 
GLN HXT  H N N 107 
GLU N    N N N 108 
GLU CA   C N S 109 
GLU C    C N N 110 
GLU O    O N N 111 
GLU CB   C N N 112 
GLU CG   C N N 113 
GLU CD   C N N 114 
GLU OE1  O N N 115 
GLU OE2  O N N 116 
GLU OXT  O N N 117 
GLU H    H N N 118 
GLU H2   H N N 119 
GLU HA   H N N 120 
GLU HB2  H N N 121 
GLU HB3  H N N 122 
GLU HG2  H N N 123 
GLU HG3  H N N 124 
GLU HE2  H N N 125 
GLU HXT  H N N 126 
GLY N    N N N 127 
GLY CA   C N N 128 
GLY C    C N N 129 
GLY O    O N N 130 
GLY OXT  O N N 131 
GLY H    H N N 132 
GLY H2   H N N 133 
GLY HA2  H N N 134 
GLY HA3  H N N 135 
GLY HXT  H N N 136 
HIS N    N N N 137 
HIS CA   C N S 138 
HIS C    C N N 139 
HIS O    O N N 140 
HIS CB   C N N 141 
HIS CG   C Y N 142 
HIS ND1  N Y N 143 
HIS CD2  C Y N 144 
HIS CE1  C Y N 145 
HIS NE2  N Y N 146 
HIS OXT  O N N 147 
HIS H    H N N 148 
HIS H2   H N N 149 
HIS HA   H N N 150 
HIS HB2  H N N 151 
HIS HB3  H N N 152 
HIS HD1  H N N 153 
HIS HD2  H N N 154 
HIS HE1  H N N 155 
HIS HE2  H N N 156 
HIS HXT  H N N 157 
HOH O    O N N 158 
HOH H1   H N N 159 
HOH H2   H N N 160 
ILE N    N N N 161 
ILE CA   C N S 162 
ILE C    C N N 163 
ILE O    O N N 164 
ILE CB   C N S 165 
ILE CG1  C N N 166 
ILE CG2  C N N 167 
ILE CD1  C N N 168 
ILE OXT  O N N 169 
ILE H    H N N 170 
ILE H2   H N N 171 
ILE HA   H N N 172 
ILE HB   H N N 173 
ILE HG12 H N N 174 
ILE HG13 H N N 175 
ILE HG21 H N N 176 
ILE HG22 H N N 177 
ILE HG23 H N N 178 
ILE HD11 H N N 179 
ILE HD12 H N N 180 
ILE HD13 H N N 181 
ILE HXT  H N N 182 
LEU N    N N N 183 
LEU CA   C N S 184 
LEU C    C N N 185 
LEU O    O N N 186 
LEU CB   C N N 187 
LEU CG   C N N 188 
LEU CD1  C N N 189 
LEU CD2  C N N 190 
LEU OXT  O N N 191 
LEU H    H N N 192 
LEU H2   H N N 193 
LEU HA   H N N 194 
LEU HB2  H N N 195 
LEU HB3  H N N 196 
LEU HG   H N N 197 
LEU HD11 H N N 198 
LEU HD12 H N N 199 
LEU HD13 H N N 200 
LEU HD21 H N N 201 
LEU HD22 H N N 202 
LEU HD23 H N N 203 
LEU HXT  H N N 204 
LYS N    N N N 205 
LYS CA   C N S 206 
LYS C    C N N 207 
LYS O    O N N 208 
LYS CB   C N N 209 
LYS CG   C N N 210 
LYS CD   C N N 211 
LYS CE   C N N 212 
LYS NZ   N N N 213 
LYS OXT  O N N 214 
LYS H    H N N 215 
LYS H2   H N N 216 
LYS HA   H N N 217 
LYS HB2  H N N 218 
LYS HB3  H N N 219 
LYS HG2  H N N 220 
LYS HG3  H N N 221 
LYS HD2  H N N 222 
LYS HD3  H N N 223 
LYS HE2  H N N 224 
LYS HE3  H N N 225 
LYS HZ1  H N N 226 
LYS HZ2  H N N 227 
LYS HZ3  H N N 228 
LYS HXT  H N N 229 
MET N    N N N 230 
MET CA   C N S 231 
MET C    C N N 232 
MET O    O N N 233 
MET CB   C N N 234 
MET CG   C N N 235 
MET SD   S N N 236 
MET CE   C N N 237 
MET OXT  O N N 238 
MET H    H N N 239 
MET H2   H N N 240 
MET HA   H N N 241 
MET HB2  H N N 242 
MET HB3  H N N 243 
MET HG2  H N N 244 
MET HG3  H N N 245 
MET HE1  H N N 246 
MET HE2  H N N 247 
MET HE3  H N N 248 
MET HXT  H N N 249 
PHE N    N N N 250 
PHE CA   C N S 251 
PHE C    C N N 252 
PHE O    O N N 253 
PHE CB   C N N 254 
PHE CG   C Y N 255 
PHE CD1  C Y N 256 
PHE CD2  C Y N 257 
PHE CE1  C Y N 258 
PHE CE2  C Y N 259 
PHE CZ   C Y N 260 
PHE OXT  O N N 261 
PHE H    H N N 262 
PHE H2   H N N 263 
PHE HA   H N N 264 
PHE HB2  H N N 265 
PHE HB3  H N N 266 
PHE HD1  H N N 267 
PHE HD2  H N N 268 
PHE HE1  H N N 269 
PHE HE2  H N N 270 
PHE HZ   H N N 271 
PHE HXT  H N N 272 
PRO N    N N N 273 
PRO CA   C N S 274 
PRO C    C N N 275 
PRO O    O N N 276 
PRO CB   C N N 277 
PRO CG   C N N 278 
PRO CD   C N N 279 
PRO OXT  O N N 280 
PRO H    H N N 281 
PRO HA   H N N 282 
PRO HB2  H N N 283 
PRO HB3  H N N 284 
PRO HG2  H N N 285 
PRO HG3  H N N 286 
PRO HD2  H N N 287 
PRO HD3  H N N 288 
PRO HXT  H N N 289 
SER N    N N N 290 
SER CA   C N S 291 
SER C    C N N 292 
SER O    O N N 293 
SER CB   C N N 294 
SER OG   O N N 295 
SER OXT  O N N 296 
SER H    H N N 297 
SER H2   H N N 298 
SER HA   H N N 299 
SER HB2  H N N 300 
SER HB3  H N N 301 
SER HG   H N N 302 
SER HXT  H N N 303 
THR N    N N N 304 
THR CA   C N S 305 
THR C    C N N 306 
THR O    O N N 307 
THR CB   C N R 308 
THR OG1  O N N 309 
THR CG2  C N N 310 
THR OXT  O N N 311 
THR H    H N N 312 
THR H2   H N N 313 
THR HA   H N N 314 
THR HB   H N N 315 
THR HG1  H N N 316 
THR HG21 H N N 317 
THR HG22 H N N 318 
THR HG23 H N N 319 
THR HXT  H N N 320 
TRP N    N N N 321 
TRP CA   C N S 322 
TRP C    C N N 323 
TRP O    O N N 324 
TRP CB   C N N 325 
TRP CG   C Y N 326 
TRP CD1  C Y N 327 
TRP CD2  C Y N 328 
TRP NE1  N Y N 329 
TRP CE2  C Y N 330 
TRP CE3  C Y N 331 
TRP CZ2  C Y N 332 
TRP CZ3  C Y N 333 
TRP CH2  C Y N 334 
TRP OXT  O N N 335 
TRP H    H N N 336 
TRP H2   H N N 337 
TRP HA   H N N 338 
TRP HB2  H N N 339 
TRP HB3  H N N 340 
TRP HD1  H N N 341 
TRP HE1  H N N 342 
TRP HE3  H N N 343 
TRP HZ2  H N N 344 
TRP HZ3  H N N 345 
TRP HH2  H N N 346 
TRP HXT  H N N 347 
VAL N    N N N 348 
VAL CA   C N S 349 
VAL C    C N N 350 
VAL O    O N N 351 
VAL CB   C N N 352 
VAL CG1  C N N 353 
VAL CG2  C N N 354 
VAL OXT  O N N 355 
VAL H    H N N 356 
VAL H2   H N N 357 
VAL HA   H N N 358 
VAL HB   H N N 359 
VAL HG11 H N N 360 
VAL HG12 H N N 361 
VAL HG13 H N N 362 
VAL HG21 H N N 363 
VAL HG22 H N N 364 
VAL HG23 H N N 365 
VAL HXT  H N N 366 
# 
loop_
_chem_comp_bond.comp_id 
_chem_comp_bond.atom_id_1 
_chem_comp_bond.atom_id_2 
_chem_comp_bond.value_order 
_chem_comp_bond.pdbx_aromatic_flag 
_chem_comp_bond.pdbx_stereo_config 
_chem_comp_bond.pdbx_ordinal 
ALA N   CA   sing N N 1   
ALA N   H    sing N N 2   
ALA N   H2   sing N N 3   
ALA CA  C    sing N N 4   
ALA CA  CB   sing N N 5   
ALA CA  HA   sing N N 6   
ALA C   O    doub N N 7   
ALA C   OXT  sing N N 8   
ALA CB  HB1  sing N N 9   
ALA CB  HB2  sing N N 10  
ALA CB  HB3  sing N N 11  
ALA OXT HXT  sing N N 12  
ARG N   CA   sing N N 13  
ARG N   H    sing N N 14  
ARG N   H2   sing N N 15  
ARG CA  C    sing N N 16  
ARG CA  CB   sing N N 17  
ARG CA  HA   sing N N 18  
ARG C   O    doub N N 19  
ARG C   OXT  sing N N 20  
ARG CB  CG   sing N N 21  
ARG CB  HB2  sing N N 22  
ARG CB  HB3  sing N N 23  
ARG CG  CD   sing N N 24  
ARG CG  HG2  sing N N 25  
ARG CG  HG3  sing N N 26  
ARG CD  NE   sing N N 27  
ARG CD  HD2  sing N N 28  
ARG CD  HD3  sing N N 29  
ARG NE  CZ   sing N N 30  
ARG NE  HE   sing N N 31  
ARG CZ  NH1  sing N N 32  
ARG CZ  NH2  doub N N 33  
ARG NH1 HH11 sing N N 34  
ARG NH1 HH12 sing N N 35  
ARG NH2 HH21 sing N N 36  
ARG NH2 HH22 sing N N 37  
ARG OXT HXT  sing N N 38  
ASN N   CA   sing N N 39  
ASN N   H    sing N N 40  
ASN N   H2   sing N N 41  
ASN CA  C    sing N N 42  
ASN CA  CB   sing N N 43  
ASN CA  HA   sing N N 44  
ASN C   O    doub N N 45  
ASN C   OXT  sing N N 46  
ASN CB  CG   sing N N 47  
ASN CB  HB2  sing N N 48  
ASN CB  HB3  sing N N 49  
ASN CG  OD1  doub N N 50  
ASN CG  ND2  sing N N 51  
ASN ND2 HD21 sing N N 52  
ASN ND2 HD22 sing N N 53  
ASN OXT HXT  sing N N 54  
ASP N   CA   sing N N 55  
ASP N   H    sing N N 56  
ASP N   H2   sing N N 57  
ASP CA  C    sing N N 58  
ASP CA  CB   sing N N 59  
ASP CA  HA   sing N N 60  
ASP C   O    doub N N 61  
ASP C   OXT  sing N N 62  
ASP CB  CG   sing N N 63  
ASP CB  HB2  sing N N 64  
ASP CB  HB3  sing N N 65  
ASP CG  OD1  doub N N 66  
ASP CG  OD2  sing N N 67  
ASP OD2 HD2  sing N N 68  
ASP OXT HXT  sing N N 69  
CYS N   CA   sing N N 70  
CYS N   H    sing N N 71  
CYS N   H2   sing N N 72  
CYS CA  C    sing N N 73  
CYS CA  CB   sing N N 74  
CYS CA  HA   sing N N 75  
CYS C   O    doub N N 76  
CYS C   OXT  sing N N 77  
CYS CB  SG   sing N N 78  
CYS CB  HB2  sing N N 79  
CYS CB  HB3  sing N N 80  
CYS SG  HG   sing N N 81  
CYS OXT HXT  sing N N 82  
GLN N   CA   sing N N 83  
GLN N   H    sing N N 84  
GLN N   H2   sing N N 85  
GLN CA  C    sing N N 86  
GLN CA  CB   sing N N 87  
GLN CA  HA   sing N N 88  
GLN C   O    doub N N 89  
GLN C   OXT  sing N N 90  
GLN CB  CG   sing N N 91  
GLN CB  HB2  sing N N 92  
GLN CB  HB3  sing N N 93  
GLN CG  CD   sing N N 94  
GLN CG  HG2  sing N N 95  
GLN CG  HG3  sing N N 96  
GLN CD  OE1  doub N N 97  
GLN CD  NE2  sing N N 98  
GLN NE2 HE21 sing N N 99  
GLN NE2 HE22 sing N N 100 
GLN OXT HXT  sing N N 101 
GLU N   CA   sing N N 102 
GLU N   H    sing N N 103 
GLU N   H2   sing N N 104 
GLU CA  C    sing N N 105 
GLU CA  CB   sing N N 106 
GLU CA  HA   sing N N 107 
GLU C   O    doub N N 108 
GLU C   OXT  sing N N 109 
GLU CB  CG   sing N N 110 
GLU CB  HB2  sing N N 111 
GLU CB  HB3  sing N N 112 
GLU CG  CD   sing N N 113 
GLU CG  HG2  sing N N 114 
GLU CG  HG3  sing N N 115 
GLU CD  OE1  doub N N 116 
GLU CD  OE2  sing N N 117 
GLU OE2 HE2  sing N N 118 
GLU OXT HXT  sing N N 119 
GLY N   CA   sing N N 120 
GLY N   H    sing N N 121 
GLY N   H2   sing N N 122 
GLY CA  C    sing N N 123 
GLY CA  HA2  sing N N 124 
GLY CA  HA3  sing N N 125 
GLY C   O    doub N N 126 
GLY C   OXT  sing N N 127 
GLY OXT HXT  sing N N 128 
HIS N   CA   sing N N 129 
HIS N   H    sing N N 130 
HIS N   H2   sing N N 131 
HIS CA  C    sing N N 132 
HIS CA  CB   sing N N 133 
HIS CA  HA   sing N N 134 
HIS C   O    doub N N 135 
HIS C   OXT  sing N N 136 
HIS CB  CG   sing N N 137 
HIS CB  HB2  sing N N 138 
HIS CB  HB3  sing N N 139 
HIS CG  ND1  sing Y N 140 
HIS CG  CD2  doub Y N 141 
HIS ND1 CE1  doub Y N 142 
HIS ND1 HD1  sing N N 143 
HIS CD2 NE2  sing Y N 144 
HIS CD2 HD2  sing N N 145 
HIS CE1 NE2  sing Y N 146 
HIS CE1 HE1  sing N N 147 
HIS NE2 HE2  sing N N 148 
HIS OXT HXT  sing N N 149 
HOH O   H1   sing N N 150 
HOH O   H2   sing N N 151 
ILE N   CA   sing N N 152 
ILE N   H    sing N N 153 
ILE N   H2   sing N N 154 
ILE CA  C    sing N N 155 
ILE CA  CB   sing N N 156 
ILE CA  HA   sing N N 157 
ILE C   O    doub N N 158 
ILE C   OXT  sing N N 159 
ILE CB  CG1  sing N N 160 
ILE CB  CG2  sing N N 161 
ILE CB  HB   sing N N 162 
ILE CG1 CD1  sing N N 163 
ILE CG1 HG12 sing N N 164 
ILE CG1 HG13 sing N N 165 
ILE CG2 HG21 sing N N 166 
ILE CG2 HG22 sing N N 167 
ILE CG2 HG23 sing N N 168 
ILE CD1 HD11 sing N N 169 
ILE CD1 HD12 sing N N 170 
ILE CD1 HD13 sing N N 171 
ILE OXT HXT  sing N N 172 
LEU N   CA   sing N N 173 
LEU N   H    sing N N 174 
LEU N   H2   sing N N 175 
LEU CA  C    sing N N 176 
LEU CA  CB   sing N N 177 
LEU CA  HA   sing N N 178 
LEU C   O    doub N N 179 
LEU C   OXT  sing N N 180 
LEU CB  CG   sing N N 181 
LEU CB  HB2  sing N N 182 
LEU CB  HB3  sing N N 183 
LEU CG  CD1  sing N N 184 
LEU CG  CD2  sing N N 185 
LEU CG  HG   sing N N 186 
LEU CD1 HD11 sing N N 187 
LEU CD1 HD12 sing N N 188 
LEU CD1 HD13 sing N N 189 
LEU CD2 HD21 sing N N 190 
LEU CD2 HD22 sing N N 191 
LEU CD2 HD23 sing N N 192 
LEU OXT HXT  sing N N 193 
LYS N   CA   sing N N 194 
LYS N   H    sing N N 195 
LYS N   H2   sing N N 196 
LYS CA  C    sing N N 197 
LYS CA  CB   sing N N 198 
LYS CA  HA   sing N N 199 
LYS C   O    doub N N 200 
LYS C   OXT  sing N N 201 
LYS CB  CG   sing N N 202 
LYS CB  HB2  sing N N 203 
LYS CB  HB3  sing N N 204 
LYS CG  CD   sing N N 205 
LYS CG  HG2  sing N N 206 
LYS CG  HG3  sing N N 207 
LYS CD  CE   sing N N 208 
LYS CD  HD2  sing N N 209 
LYS CD  HD3  sing N N 210 
LYS CE  NZ   sing N N 211 
LYS CE  HE2  sing N N 212 
LYS CE  HE3  sing N N 213 
LYS NZ  HZ1  sing N N 214 
LYS NZ  HZ2  sing N N 215 
LYS NZ  HZ3  sing N N 216 
LYS OXT HXT  sing N N 217 
MET N   CA   sing N N 218 
MET N   H    sing N N 219 
MET N   H2   sing N N 220 
MET CA  C    sing N N 221 
MET CA  CB   sing N N 222 
MET CA  HA   sing N N 223 
MET C   O    doub N N 224 
MET C   OXT  sing N N 225 
MET CB  CG   sing N N 226 
MET CB  HB2  sing N N 227 
MET CB  HB3  sing N N 228 
MET CG  SD   sing N N 229 
MET CG  HG2  sing N N 230 
MET CG  HG3  sing N N 231 
MET SD  CE   sing N N 232 
MET CE  HE1  sing N N 233 
MET CE  HE2  sing N N 234 
MET CE  HE3  sing N N 235 
MET OXT HXT  sing N N 236 
PHE N   CA   sing N N 237 
PHE N   H    sing N N 238 
PHE N   H2   sing N N 239 
PHE CA  C    sing N N 240 
PHE CA  CB   sing N N 241 
PHE CA  HA   sing N N 242 
PHE C   O    doub N N 243 
PHE C   OXT  sing N N 244 
PHE CB  CG   sing N N 245 
PHE CB  HB2  sing N N 246 
PHE CB  HB3  sing N N 247 
PHE CG  CD1  doub Y N 248 
PHE CG  CD2  sing Y N 249 
PHE CD1 CE1  sing Y N 250 
PHE CD1 HD1  sing N N 251 
PHE CD2 CE2  doub Y N 252 
PHE CD2 HD2  sing N N 253 
PHE CE1 CZ   doub Y N 254 
PHE CE1 HE1  sing N N 255 
PHE CE2 CZ   sing Y N 256 
PHE CE2 HE2  sing N N 257 
PHE CZ  HZ   sing N N 258 
PHE OXT HXT  sing N N 259 
PRO N   CA   sing N N 260 
PRO N   CD   sing N N 261 
PRO N   H    sing N N 262 
PRO CA  C    sing N N 263 
PRO CA  CB   sing N N 264 
PRO CA  HA   sing N N 265 
PRO C   O    doub N N 266 
PRO C   OXT  sing N N 267 
PRO CB  CG   sing N N 268 
PRO CB  HB2  sing N N 269 
PRO CB  HB3  sing N N 270 
PRO CG  CD   sing N N 271 
PRO CG  HG2  sing N N 272 
PRO CG  HG3  sing N N 273 
PRO CD  HD2  sing N N 274 
PRO CD  HD3  sing N N 275 
PRO OXT HXT  sing N N 276 
SER N   CA   sing N N 277 
SER N   H    sing N N 278 
SER N   H2   sing N N 279 
SER CA  C    sing N N 280 
SER CA  CB   sing N N 281 
SER CA  HA   sing N N 282 
SER C   O    doub N N 283 
SER C   OXT  sing N N 284 
SER CB  OG   sing N N 285 
SER CB  HB2  sing N N 286 
SER CB  HB3  sing N N 287 
SER OG  HG   sing N N 288 
SER OXT HXT  sing N N 289 
THR N   CA   sing N N 290 
THR N   H    sing N N 291 
THR N   H2   sing N N 292 
THR CA  C    sing N N 293 
THR CA  CB   sing N N 294 
THR CA  HA   sing N N 295 
THR C   O    doub N N 296 
THR C   OXT  sing N N 297 
THR CB  OG1  sing N N 298 
THR CB  CG2  sing N N 299 
THR CB  HB   sing N N 300 
THR OG1 HG1  sing N N 301 
THR CG2 HG21 sing N N 302 
THR CG2 HG22 sing N N 303 
THR CG2 HG23 sing N N 304 
THR OXT HXT  sing N N 305 
TRP N   CA   sing N N 306 
TRP N   H    sing N N 307 
TRP N   H2   sing N N 308 
TRP CA  C    sing N N 309 
TRP CA  CB   sing N N 310 
TRP CA  HA   sing N N 311 
TRP C   O    doub N N 312 
TRP C   OXT  sing N N 313 
TRP CB  CG   sing N N 314 
TRP CB  HB2  sing N N 315 
TRP CB  HB3  sing N N 316 
TRP CG  CD1  doub Y N 317 
TRP CG  CD2  sing Y N 318 
TRP CD1 NE1  sing Y N 319 
TRP CD1 HD1  sing N N 320 
TRP CD2 CE2  doub Y N 321 
TRP CD2 CE3  sing Y N 322 
TRP NE1 CE2  sing Y N 323 
TRP NE1 HE1  sing N N 324 
TRP CE2 CZ2  sing Y N 325 
TRP CE3 CZ3  doub Y N 326 
TRP CE3 HE3  sing N N 327 
TRP CZ2 CH2  doub Y N 328 
TRP CZ2 HZ2  sing N N 329 
TRP CZ3 CH2  sing Y N 330 
TRP CZ3 HZ3  sing N N 331 
TRP CH2 HH2  sing N N 332 
TRP OXT HXT  sing N N 333 
VAL N   CA   sing N N 334 
VAL N   H    sing N N 335 
VAL N   H2   sing N N 336 
VAL CA  C    sing N N 337 
VAL CA  CB   sing N N 338 
VAL CA  HA   sing N N 339 
VAL C   O    doub N N 340 
VAL C   OXT  sing N N 341 
VAL CB  CG1  sing N N 342 
VAL CB  CG2  sing N N 343 
VAL CB  HB   sing N N 344 
VAL CG1 HG11 sing N N 345 
VAL CG1 HG12 sing N N 346 
VAL CG1 HG13 sing N N 347 
VAL CG2 HG21 sing N N 348 
VAL CG2 HG22 sing N N 349 
VAL CG2 HG23 sing N N 350 
VAL OXT HXT  sing N N 351 
# 
_pdbx_audit_support.funding_organization   'Consejo Nacional de Ciencia y Tecnologia (CONACYT)' 
_pdbx_audit_support.country                Mexico 
_pdbx_audit_support.grant_number           'CF 2019-87163' 
_pdbx_audit_support.ordinal                1 
# 
_pdbx_initial_refinement_model.id               1 
_pdbx_initial_refinement_model.entity_id_list   ? 
_pdbx_initial_refinement_model.type             'in silico model' 
_pdbx_initial_refinement_model.source_name      AlphaFold 
_pdbx_initial_refinement_model.accession_code   ? 
_pdbx_initial_refinement_model.details          ? 
# 
_space_group.name_H-M_alt     'P 61 2 2' 
_space_group.name_Hall        'P 61 2 (x,y,z+5/12)' 
_space_group.IT_number        178 
_space_group.crystal_system   hexagonal 
_space_group.id               1 
# 
_atom_sites.entry_id                    9BLJ 
_atom_sites.Cartn_transf_matrix[1][1]   ? 
_atom_sites.Cartn_transf_matrix[1][2]   ? 
_atom_sites.Cartn_transf_matrix[1][3]   ? 
_atom_sites.Cartn_transf_matrix[2][1]   ? 
_atom_sites.Cartn_transf_matrix[2][2]   ? 
_atom_sites.Cartn_transf_matrix[2][3]   ? 
_atom_sites.Cartn_transf_matrix[3][1]   ? 
_atom_sites.Cartn_transf_matrix[3][2]   ? 
_atom_sites.Cartn_transf_matrix[3][3]   ? 
_atom_sites.Cartn_transf_vector[1]      ? 
_atom_sites.Cartn_transf_vector[2]      ? 
_atom_sites.Cartn_transf_vector[3]      ? 
_atom_sites.Cartn_transform_axes        ? 
_atom_sites.fract_transf_matrix[1][1]   0.021050 
_atom_sites.fract_transf_matrix[1][2]   0.012153 
_atom_sites.fract_transf_matrix[1][3]   0.000000 
_atom_sites.fract_transf_matrix[2][1]   0.000000 
_atom_sites.fract_transf_matrix[2][2]   0.024306 
_atom_sites.fract_transf_matrix[2][3]   0.000000 
_atom_sites.fract_transf_matrix[3][1]   0.000000 
_atom_sites.fract_transf_matrix[3][2]   0.000000 
_atom_sites.fract_transf_matrix[3][3]   0.010425 
_atom_sites.fract_transf_vector[1]      0.00000 
_atom_sites.fract_transf_vector[2]      0.00000 
_atom_sites.fract_transf_vector[3]      0.00000 
_atom_sites.solution_primary            ? 
_atom_sites.solution_secondary          ? 
_atom_sites.solution_hydrogens          ? 
_atom_sites.special_details             ? 
# 
loop_
_atom_type.symbol 
_atom_type.scat_dispersion_real 
_atom_type.scat_dispersion_imag 
_atom_type.scat_Cromer_Mann_a1 
_atom_type.scat_Cromer_Mann_a2 
_atom_type.scat_Cromer_Mann_a3 
_atom_type.scat_Cromer_Mann_a4 
_atom_type.scat_Cromer_Mann_b1 
_atom_type.scat_Cromer_Mann_b2 
_atom_type.scat_Cromer_Mann_b3 
_atom_type.scat_Cromer_Mann_b4 
_atom_type.scat_Cromer_Mann_c 
_atom_type.scat_source 
_atom_type.scat_dispersion_source 
C ? ? 3.54356 2.42580 ? ? 25.62398 1.50364 ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
N ? ? 4.01032 2.96436 ? ? 19.97189 1.75589 ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
O ? ? 4.49882 3.47563 ? ? 15.80542 1.70748 ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
# 
loop_
_atom_site.group_PDB 
_atom_site.id 
_atom_site.type_symbol 
_atom_site.label_atom_id 
_atom_site.label_alt_id 
_atom_site.label_comp_id 
_atom_site.label_asym_id 
_atom_site.label_entity_id 
_atom_site.label_seq_id 
_atom_site.pdbx_PDB_ins_code 
_atom_site.Cartn_x 
_atom_site.Cartn_y 
_atom_site.Cartn_z 
_atom_site.occupancy 
_atom_site.B_iso_or_equiv 
_atom_site.pdbx_formal_charge 
_atom_site.auth_seq_id 
_atom_site.auth_comp_id 
_atom_site.auth_asym_id 
_atom_site.auth_atom_id 
_atom_site.pdbx_PDB_model_num 
ATOM   1   N N   . PRO A 1 8  ? -33.84470 9.43213  4.22890  1.000 58.44427 ? 6   PRO A N   1 
ATOM   2   C CA  . PRO A 1 8  ? -32.75674 10.41081 4.07232  1.000 56.69366 ? 6   PRO A CA  1 
ATOM   3   C C   . PRO A 1 8  ? -31.43266 9.72837  3.75330  1.000 50.84754 ? 6   PRO A C   1 
ATOM   4   O O   . PRO A 1 8  ? -31.05423 8.78069  4.43794  1.000 45.22165 ? 6   PRO A O   1 
ATOM   5   C CB  . PRO A 1 8  ? -32.70387 11.10846 5.43778  1.000 58.27779 ? 6   PRO A CB  1 
ATOM   6   C CG  . PRO A 1 8  ? -34.02761 10.84389 6.05391  1.000 55.63110 ? 6   PRO A CG  1 
ATOM   7   C CD  . PRO A 1 8  ? -34.44227 9.48240  5.57034  1.000 57.63402 ? 6   PRO A CD  1 
ATOM   8   N N   . VAL A 1 9  ? -30.72226 10.18285 2.72654  1.000 50.29865 ? 7   VAL A N   1 
ATOM   9   C CA  . VAL A 1 9  ? -29.50212 9.49330  2.32975  1.000 45.05113 ? 7   VAL A CA  1 
ATOM   10  C C   . VAL A 1 9  ? -28.37234 9.85853  3.29515  1.000 39.55503 ? 7   VAL A C   1 
ATOM   11  O O   . VAL A 1 9  ? -28.31255 10.96718 3.84045  1.000 39.69517 ? 7   VAL A O   1 
ATOM   12  C CB  . VAL A 1 9  ? -29.15623 9.80254  0.85484  1.000 42.90786 ? 7   VAL A CB  1 
ATOM   13  C CG1 . VAL A 1 9  ? -28.81262 11.28192 0.65662  1.000 48.21625 ? 7   VAL A CG1 1 
ATOM   14  C CG2 . VAL A 1 9  ? -28.05928 8.83654  0.30314  1.000 43.26459 ? 7   VAL A CG2 1 
ATOM   15  N N   . LYS A 1 10 ? -27.51888 8.88797  3.57942  1.000 34.78189 ? 8   LYS A N   1 
ATOM   16  C CA  . LYS A 1 10 ? -26.38787 9.12698  4.47107  1.000 31.75517 ? 8   LYS A CA  1 
ATOM   17  C C   . LYS A 1 10 ? -25.43171 10.14330 3.85443  1.000 31.08326 ? 8   LYS A C   1 
ATOM   18  O O   . LYS A 1 10 ? -25.05830 10.01561 2.67887  1.000 27.00274 ? 8   LYS A O   1 
ATOM   19  C CB  . LYS A 1 10 ? -25.67685 7.81808  4.71215  1.000 31.95382 ? 8   LYS A CB  1 
ATOM   20  C CG  . LYS A 1 10 ? -24.74570 7.84837  5.86953  1.000 31.89924 ? 8   LYS A CG  1 
ATOM   21  C CD  . LYS A 1 10 ? -24.32352 6.45363  6.10224  1.000 32.48246 ? 8   LYS A CD  1 
ATOM   22  C CE  . LYS A 1 10 ? -23.18004 6.44304  7.03002  1.000 26.98787 ? 8   LYS A CE  1 
ATOM   23  N NZ  . LYS A 1 10 ? -22.79071 5.03309  7.16208  1.000 26.55976 ? 8   LYS A NZ  1 
ATOM   24  N N   . ASN A 1 11 ? -25.06024 11.18080 4.61198  1.000 26.53844 ? 9   ASN A N   1 
ATOM   25  C CA  . ASN A 1 11 ? -24.08636 12.12370 4.05838  1.000 24.90020 ? 9   ASN A CA  1 
ATOM   26  C C   . ASN A 1 11 ? -22.89540 12.40285 4.97564  1.000 23.70743 ? 9   ASN A C   1 
ATOM   27  O O   . ASN A 1 11 ? -22.17847 13.37867 4.74528  1.000 21.10544 ? 9   ASN A O   1 
ATOM   28  C CB  . ASN A 1 11 ? -24.72692 13.44488 3.64131  1.000 34.80611 ? 9   ASN A CB  1 
ATOM   29  C CG  . ASN A 1 11 ? -25.61136 14.00197 4.66627  1.000 39.08412 ? 9   ASN A CG  1 
ATOM   30  O OD1 . ASN A 1 11 ? -25.45225 13.73374 5.88154  1.000 36.94683 ? 9   ASN A OD1 1 
ATOM   31  N ND2 . ASN A 1 11 ? -26.59179 14.79940 4.21109  1.000 39.99921 ? 9   ASN A ND2 1 
ATOM   32  N N   . SER A 1 12 ? -22.64826 11.57225 5.98264  1.000 19.96809 ? 10  SER A N   1 
ATOM   33  C CA  . SER A 1 12 ? -21.40496 11.70533 6.73237  1.000 18.57047 ? 10  SER A CA  1 
ATOM   34  C C   . SER A 1 12 ? -21.05755 10.34546 7.29043  1.000 17.16604 ? 10  SER A C   1 
ATOM   35  O O   . SER A 1 12 ? -21.94360 9.50889  7.51451  1.000 19.08989 ? 10  SER A O   1 
ATOM   36  C CB  . SER A 1 12 ? -21.45545 12.74677 7.85340  1.000 24.44353 ? 10  SER A CB  1 
ATOM   37  O OG  . SER A 1 12 ? -22.38258 12.37684 8.87308  1.000 28.85883 ? 10  SER A OG  1 
ATOM   38  N N   . TRP A 1 13 ? -19.76520 10.11994 7.51933  1.000 17.32500 ? 11  TRP A N   1 
ATOM   39  C CA  . TRP A 1 13 ? -19.26184 8.77122  7.79797  1.000 16.76308 ? 11  TRP A CA  1 
ATOM   40  C C   . TRP A 1 13 ? -18.33746 8.80762  9.01133  1.000 16.91076 ? 11  TRP A C   1 
ATOM   41  O O   . TRP A 1 13 ? -17.16309 8.48362  8.91369  1.000 16.06887 ? 11  TRP A O   1 
ATOM   42  C CB  . TRP A 1 13 ? -18.54455 8.18441  6.57893  1.000 17.11208 ? 11  TRP A CB  1 
ATOM   43  C CG  . TRP A 1 13 ? -19.47967 7.79913  5.45578  1.000 16.03925 ? 11  TRP A CG  1 
ATOM   44  C CD1 . TRP A 1 13 ? -19.97199 6.55221  5.19985  1.000 20.39819 ? 11  TRP A CD1 1 
ATOM   45  C CD2 . TRP A 1 13 ? -20.07748 8.68748  4.49725  1.000 14.67229 ? 11  TRP A CD2 1 
ATOM   46  N NE1 . TRP A 1 13 ? -20.85307 6.61043  4.13761  1.000 20.08499 ? 11  TRP A NE1 1 
ATOM   47  C CE2 . TRP A 1 13 ? -20.90823 7.90131  3.67376  1.000 21.35161 ? 11  TRP A CE2 1 
ATOM   48  C CE3 . TRP A 1 13 ? -19.97161 10.07582 4.23962  1.000 17.92654 ? 11  TRP A CE3 1 
ATOM   49  C CZ2 . TRP A 1 13 ? -21.64682 8.43891  2.61158  1.000 19.27376 ? 11  TRP A CZ2 1 
ATOM   50  C CZ3 . TRP A 1 13 ? -20.70758 10.61815 3.14564  1.000 15.81310 ? 11  TRP A CZ3 1 
ATOM   51  C CH2 . TRP A 1 13 ? -21.54638 9.78558  2.37252  1.000 17.39497 ? 11  TRP A CH2 1 
ATOM   52  N N   . PRO A 1 14 ? -18.84810 9.18631  10.18644 1.000 20.14285 ? 12  PRO A N   1 
ATOM   53  C CA  . PRO A 1 14 ? -17.95124 9.21697  11.38576 1.000 20.36271 ? 12  PRO A CA  1 
ATOM   54  C C   . PRO A 1 14 ? -17.27308 7.88722  11.68701 1.000 19.31348 ? 12  PRO A C   1 
ATOM   55  O O   . PRO A 1 14 ? -16.12368 7.85082  12.17488 1.000 20.07425 ? 12  PRO A O   1 
ATOM   56  C CB  . PRO A 1 14 ? -18.89112 9.64138  12.53014 1.000 22.20990 ? 12  PRO A CB  1 
ATOM   57  C CG  . PRO A 1 14 ? -20.29457 9.27599  12.05646 1.000 20.99762 ? 12  PRO A CG  1 
ATOM   58  C CD  . PRO A 1 14 ? -20.24967 9.50964  10.51889 1.000 18.96035 ? 12  PRO A CD  1 
ATOM   59  N N   . GLU A 1 15 ? -17.90876 6.78056  11.34047 1.000 22.32489 ? 13  GLU A N   1 
ATOM   60  C CA  . GLU A 1 15 ? -17.34935 5.46192  11.61511 1.000 19.91982 ? 13  GLU A CA  1 
ATOM   61  C C   . GLU A 1 15 ? -16.15810 5.11898  10.73281 1.000 18.68486 ? 13  GLU A C   1 
ATOM   62  O O   . GLU A 1 15 ? -15.47059 4.14289  11.03123 1.000 23.77124 ? 13  GLU A O   1 
ATOM   63  C CB  . GLU A 1 15 ? -18.41590 4.38889  11.40824 1.000 22.99515 ? 13  GLU A CB  1 
ATOM   64  C CG  . GLU A 1 15 ? -18.74912 4.14943  9.92239  1.000 23.43789 ? 13  GLU A CG  1 
ATOM   65  C CD  . GLU A 1 15 ? -19.80399 5.13333  9.34982  1.000 26.75407 ? 13  GLU A CD  1 
ATOM   66  O OE1 . GLU A 1 15 ? -20.17597 6.13113  10.00611 1.000 26.75340 ? 13  GLU A OE1 1 
ATOM   67  O OE2 . GLU A 1 15 ? -20.25985 4.91762  8.20104  1.000 28.20001 ? 13  GLU A OE2 1 
ATOM   68  N N   . LEU A 1 16 ? -15.83931 5.92810  9.72227  1.000 15.74226 ? 14  LEU A N   1 
ATOM   69  C CA  . LEU A 1 16 ? -14.65776 5.65051  8.88992  1.000 20.18952 ? 14  LEU A CA  1 
ATOM   70  C C   . LEU A 1 16 ? -13.41791 6.40797  9.34613  1.000 19.89617 ? 14  LEU A C   1 
ATOM   71  O O   . LEU A 1 16 ? -12.32398 6.17978  8.80426  1.000 19.46333 ? 14  LEU A O   1 
ATOM   72  C CB  . LEU A 1 16 ? -14.94305 5.96251  7.41408  1.000 19.22762 ? 14  LEU A CB  1 
ATOM   73  C CG  . LEU A 1 16 ? -16.08737 5.11728  6.84449  1.000 18.73480 ? 14  LEU A CG  1 
ATOM   74  C CD1 . LEU A 1 16 ? -16.34123 5.48110  5.36067  1.000 17.38419 ? 14  LEU A CD1 1 
ATOM   75  C CD2 . LEU A 1 16 ? -15.84892 3.61576  7.05387  1.000 20.16827 ? 14  LEU A CD2 1 
ATOM   76  N N   . VAL A 1 17 ? -13.53215 7.28125  10.35104 1.000 19.71513 ? 15  VAL A N   1 
ATOM   77  C CA  . VAL A 1 17 ? -12.33483 7.90696  10.86962 1.000 16.62031 ? 15  VAL A CA  1 
ATOM   78  C C   . VAL A 1 17 ? -11.43065 6.81493  11.45438 1.000 23.72433 ? 15  VAL A C   1 
ATOM   79  O O   . VAL A 1 17 ? -11.90041 5.89137  12.14719 1.000 22.90311 ? 15  VAL A O   1 
ATOM   80  C CB  . VAL A 1 17 ? -12.67490 8.95406  11.94852 1.000 20.00241 ? 15  VAL A CB  1 
ATOM   81  C CG1 . VAL A 1 17 ? -11.37182 9.45619  12.55312 1.000 23.03427 ? 15  VAL A CG1 1 
ATOM   82  C CG2 . VAL A 1 17 ? -13.52495 10.14954 11.40532 1.000 18.90829 ? 15  VAL A CG2 1 
ATOM   83  N N   . GLY A 1 18 ? -10.13399 6.88941  11.14868 1.000 22.71956 ? 16  GLY A N   1 
ATOM   84  C CA  . GLY A 1 18 ? -9.18697  5.87338  11.59761 1.000 26.61513 ? 16  GLY A CA  1 
ATOM   85  C C   . GLY A 1 18 ? -9.04263  4.69169  10.65610 1.000 24.13106 ? 16  GLY A C   1 
ATOM   86  O O   . GLY A 1 18 ? -8.23630  3.79546  10.92929 1.000 28.24241 ? 16  GLY A O   1 
ATOM   87  N N   . THR A 1 19 ? -9.77686  4.65484  9.56470  1.000 20.88578 ? 17  THR A N   1 
ATOM   88  C CA  . THR A 1 19 ? -9.66115  3.60622  8.56142  1.000 21.95850 ? 17  THR A CA  1 
ATOM   89  C C   . THR A 1 19 ? -8.79088  4.07547  7.40111  1.000 24.06309 ? 17  THR A C   1 
ATOM   90  O O   . THR A 1 19 ? -8.46652  5.25809  7.28869  1.000 23.42599 ? 17  THR A O   1 
ATOM   91  C CB  . THR A 1 19 ? -11.04086 3.16435  8.06398  1.000 27.16883 ? 17  THR A CB  1 
ATOM   92  O OG1 . THR A 1 19 ? -11.62580 4.15081  7.19340  1.000 26.64508 ? 17  THR A OG1 1 
ATOM   93  C CG2 . THR A 1 19 ? -11.94577 2.84408  9.27465  1.000 26.58565 ? 17  THR A CG2 1 
ATOM   94  N N   . ASN A 1 20 ? -8.39981  3.13235  6.53326  1.000 20.11164 ? 18  ASN A N   1 
ATOM   95  C CA  . ASN A 1 20 ? -7.67936  3.52318  5.32098  1.000 20.86648 ? 18  ASN A CA  1 
ATOM   96  C C   . ASN A 1 20 ? -8.56399  4.37172  4.39586  1.000 20.32594 ? 18  ASN A C   1 
ATOM   97  O O   . ASN A 1 20 ? -9.70819  4.02671  4.12164  1.000 17.34894 ? 18  ASN A O   1 
ATOM   98  C CB  . ASN A 1 20 ? -7.16408  2.28913  4.57002  1.000 25.33218 ? 18  ASN A CB  1 
ATOM   99  C CG  . ASN A 1 20 ? -6.55161  2.64249  3.23581  1.000 23.60406 ? 18  ASN A CG  1 
ATOM   100 O OD1 . ASN A 1 20 ? -7.23973  2.68541  2.22834  1.000 22.04312 ? 18  ASN A OD1 1 
ATOM   101 N ND2 . ASN A 1 20 ? -5.25420  2.90580  3.22100  1.000 29.60202 ? 18  ASN A ND2 1 
ATOM   102 N N   . GLY A 1 21 ? -8.01728  5.47822  3.86784  1.000 19.81370 ? 19  GLY A N   1 
ATOM   103 C CA  . GLY A 1 21 ? -8.87072  6.40607  3.13044  1.000 21.26008 ? 19  GLY A CA  1 
ATOM   104 C C   . GLY A 1 21 ? -9.30153  5.87254  1.78813  1.000 19.73026 ? 19  GLY A C   1 
ATOM   105 O O   . GLY A 1 21 ? -10.37457 6.21955  1.29225  1.000 18.95921 ? 19  GLY A O   1 
ATOM   106 N N   . ASP A 1 22 ? -8.44782  5.06593  1.13727  1.000 19.86610 ? 20  ASP A N   1 
ATOM   107 C CA  . ASP A 1 22 ? -8.85377  4.50878  -0.13988 1.000 22.51773 ? 20  ASP A CA  1 
ATOM   108 C C   . ASP A 1 22 ? -9.95481  3.48294  0.04421  1.000 18.52944 ? 20  ASP A C   1 
ATOM   109 O O   . ASP A 1 22 ? -10.91407 3.44751  -0.74049 1.000 18.67656 ? 20  ASP A O   1 
ATOM   110 C CB  . ASP A 1 22 ? -7.65074  3.92250  -0.83981 1.000 25.53477 ? 20  ASP A CB  1 
ATOM   111 C CG  . ASP A 1 22 ? -6.53936  4.96390  -0.97615 1.000 35.14178 ? 20  ASP A CG  1 
ATOM   112 O OD1 . ASP A 1 22 ? -6.80457  6.00100  -1.64644 1.000 30.05293 ? 20  ASP A OD1 1 
ATOM   113 O OD2 . ASP A 1 22 ? -5.47282  4.80209  -0.33859 1.000 36.03823 ? 20  ASP A OD2 1 
ATOM   114 N N   . ILE A 1 23 ? -9.86483  2.67161  1.09164  1.000 18.01766 ? 21  ILE A N   1 
ATOM   115 C CA  . ILE A 1 23 ? -11.02246 1.79572  1.38752  1.000 17.57968 ? 21  ILE A CA  1 
ATOM   116 C C   . ILE A 1 23 ? -12.24345 2.61002  1.75768  1.000 19.18606 ? 21  ILE A C   1 
ATOM   117 O O   . ILE A 1 23 ? -13.36890 2.32293  1.28903  1.000 17.15541 ? 21  ILE A O   1 
ATOM   118 C CB  . ILE A 1 23 ? -10.67068 0.79561  2.49031  1.000 18.85156 ? 21  ILE A CB  1 
ATOM   119 C CG1 . ILE A 1 23 ? -9.46235  -0.06222 2.04568  1.000 17.54902 ? 21  ILE A CG1 1 
ATOM   120 C CG2 . ILE A 1 23 ? -11.93121 -0.05021 2.78868  1.000 19.72926 ? 21  ILE A CG2 1 
ATOM   121 C CD1 . ILE A 1 23 ? -8.89088  -0.98343 3.18380  1.000 22.05496 ? 21  ILE A CD1 1 
ATOM   122 N N   . ALA A 1 24 ? -12.05591 3.67624  2.54269  1.000 16.45054 ? 22  ALA A N   1 
ATOM   123 C CA  . ALA A 1 24 ? -13.21190 4.48159  2.93473  1.000 18.27966 ? 22  ALA A CA  1 
ATOM   124 C C   . ALA A 1 24 ? -13.88483 5.11768  1.73321  1.000 18.72622 ? 22  ALA A C   1 
ATOM   125 O O   . ALA A 1 24 ? -15.11931 5.20006  1.67563  1.000 16.57030 ? 22  ALA A O   1 
ATOM   126 C CB  . ALA A 1 24 ? -12.80331 5.54447  3.94689  1.000 17.93671 ? 22  ALA A CB  1 
ATOM   127 N N   . ALA A 1 25 ? -13.09287 5.53322  0.73384  1.000 18.17450 ? 23  ALA A N   1 
ATOM   128 C CA  . ALA A 1 25 ? -13.68439 6.14657  -0.44906 1.000 18.27655 ? 23  ALA A CA  1 
ATOM   129 C C   . ALA A 1 25 ? -14.58791 5.14623  -1.16788 1.000 16.79711 ? 23  ALA A C   1 
ATOM   130 O O   . ALA A 1 25 ? -15.68965 5.49638  -1.60302 1.000 17.56933 ? 23  ALA A O   1 
ATOM   131 C CB  . ALA A 1 25 ? -12.57612 6.68475  -1.37243 1.000 18.90714 ? 23  ALA A CB  1 
ATOM   132 N N   . GLY A 1 26 ? -14.16320 3.88989  -1.27014 1.000 15.48236 ? 24  GLY A N   1 
ATOM   133 C CA  . GLY A 1 26 ? -15.03473 2.85524  -1.84510 1.000 19.41393 ? 24  GLY A CA  1 
ATOM   134 C C   . GLY A 1 26 ? -16.34215 2.65958  -1.08573 1.000 19.99337 ? 24  GLY A C   1 
ATOM   135 O O   . GLY A 1 26 ? -17.42758 2.56169  -1.69000 1.000 17.41296 ? 24  GLY A O   1 
ATOM   136 N N   . ILE A 1 27 ? -16.26059 2.59411  0.24221  1.000 17.65363 ? 25  ILE A N   1 
ATOM   137 C CA  . ILE A 1 27 ? -17.46391 2.43563  1.06557  1.000 14.89358 ? 25  ILE A CA  1 
ATOM   138 C C   . ILE A 1 27 ? -18.43354 3.59875  0.86682  1.000 19.11895 ? 25  ILE A C   1 
ATOM   139 O O   . ILE A 1 27 ? -19.64142 3.40997  0.66653  1.000 16.55722 ? 25  ILE A O   1 
ATOM   140 C CB  . ILE A 1 27 ? -17.06078 2.30400  2.53886  1.000 15.37920 ? 25  ILE A CB  1 
ATOM   141 C CG1 . ILE A 1 27 ? -16.37238 0.92944  2.70561  1.000 17.89579 ? 25  ILE A CG1 1 
ATOM   142 C CG2 . ILE A 1 27 ? -18.27090 2.42998  3.44591  1.000 16.22200 ? 25  ILE A CG2 1 
ATOM   143 C CD1 . ILE A 1 27 ? -15.46230 0.87902  3.92995  1.000 20.87888 ? 25  ILE A CD1 1 
ATOM   144 N N   . ILE A 1 28 ? -17.91354 4.80554  0.97827  1.000 14.83967 ? 26  ILE A N   1 
ATOM   145 C CA  . ILE A 1 28 ? -18.71459 6.01885  0.81593  1.000 14.59258 ? 26  ILE A CA  1 
ATOM   146 C C   . ILE A 1 28 ? -19.47620 5.99930  -0.50117 1.000 15.24338 ? 26  ILE A C   1 
ATOM   147 O O   . ILE A 1 28 ? -20.67866 6.26026  -0.52959 1.000 16.12799 ? 26  ILE A O   1 
ATOM   148 C CB  . ILE A 1 28 ? -17.80376 7.24784  0.93365  1.000 13.51576 ? 26  ILE A CB  1 
ATOM   149 C CG1 . ILE A 1 28 ? -17.35185 7.39257  2.39514  1.000 15.00698 ? 26  ILE A CG1 1 
ATOM   150 C CG2 . ILE A 1 28 ? -18.55435 8.55301  0.47372  1.000 15.39866 ? 26  ILE A CG2 1 
ATOM   151 C CD1 . ILE A 1 28 ? -16.17545 8.42586  2.54488  1.000 16.52219 ? 26  ILE A CD1 1 
ATOM   152 N N   . GLN A 1 29 ? -18.78497 5.69356  -1.60231 1.000 14.61059 ? 27  GLN A N   1 
ATOM   153 C CA  . GLN A 1 29 ? -19.40402 5.70320  -2.92338 1.000 17.95200 ? 27  GLN A CA  1 
ATOM   154 C C   . GLN A 1 29 ? -20.39818 4.55349  -3.09409 1.000 20.03819 ? 27  GLN A C   1 
ATOM   155 O O   . GLN A 1 29 ? -21.25082 4.61300  -3.98493 1.000 21.52751 ? 27  GLN A O   1 
ATOM   156 C CB  . GLN A 1 29 ? -18.32778 5.62734  -4.00229 1.000 18.54151 ? 27  GLN A CB  1 
ATOM   157 C CG  . GLN A 1 29 ? -17.52812 6.91535  -4.12854 1.000 16.10785 ? 27  GLN A CG  1 
ATOM   158 C CD  . GLN A 1 29 ? -16.50229 6.89783  -5.21566 1.000 23.70134 ? 27  GLN A CD  1 
ATOM   159 O OE1 . GLN A 1 29 ? -16.03852 7.96456  -5.64233 1.000 17.96124 ? 27  GLN A OE1 1 
ATOM   160 N NE2 . GLN A 1 29 ? -16.13209 5.68727  -5.71207 1.000 27.27265 ? 27  GLN A NE2 1 
ATOM   161 N N   . THR A 1 30 ? -20.32906 3.54990  -2.23118 1.000 16.42096 ? 28  THR A N   1 
ATOM   162 C CA  . THR A 1 30 ? -21.30545 2.47068  -2.24532 1.000 19.19830 ? 28  THR A CA  1 
ATOM   163 C C   . THR A 1 30 ? -22.52873 2.84380  -1.41987 1.000 20.40249 ? 28  THR A C   1 
ATOM   164 O O   . THR A 1 30 ? -23.67776 2.62516  -1.84676 1.000 22.50234 ? 28  THR A O   1 
ATOM   165 C CB  . THR A 1 30 ? -20.65435 1.19559  -1.69623 1.000 19.23452 ? 28  THR A CB  1 
ATOM   166 O OG1 . THR A 1 30 ? -19.50744 0.90227  -2.47328 1.000 24.20394 ? 28  THR A OG1 1 
ATOM   167 C CG2 . THR A 1 30 ? -21.59026 0.03572  -1.78558 1.000 19.07548 ? 28  THR A CG2 1 
ATOM   168 N N   . GLU A 1 31 ? -22.31200 3.46374  -0.26612 1.000 17.12811 ? 29  GLU A N   1 
ATOM   169 C CA  . GLU A 1 31 ? -23.42281 3.81697  0.61180  1.000 18.01312 ? 29  GLU A CA  1 
ATOM   170 C C   . GLU A 1 31 ? -24.27209 4.96080  0.07642  1.000 26.72816 ? 29  GLU A C   1 
ATOM   171 O O   . GLU A 1 31 ? -25.49767 4.99607  0.30453  1.000 26.14158 ? 29  GLU A O   1 
ATOM   172 C CB  . GLU A 1 31 ? -22.87904 4.19129  2.00008  1.000 25.96450 ? 29  GLU A CB  1 
ATOM   173 C CG  . GLU A 1 31 ? -22.50510 2.95317  2.76183  1.000 25.83735 ? 29  GLU A CG  1 
ATOM   174 C CD  . GLU A 1 31 ? -22.04871 3.16678  4.20693  1.000 33.56116 ? 29  GLU A CD  1 
ATOM   175 O OE1 . GLU A 1 31 ? -21.95511 4.30823  4.63378  1.000 28.32378 ? 29  GLU A OE1 1 
ATOM   176 O OE2 . GLU A 1 31 ? -21.77995 2.15491  4.92064  1.000 36.85744 ? 29  GLU A OE2 1 
ATOM   177 N N   . ASN A 1 32 ? -23.65520 5.90125  -0.62317 1.000 16.61318 ? 30  ASN A N   1 
ATOM   178 C CA  . ASN A 1 32 ? -24.33098 7.05371  -1.19393 1.000 18.82853 ? 30  ASN A CA  1 
ATOM   179 C C   . ASN A 1 32 ? -23.96525 7.05022  -2.67800 1.000 22.31470 ? 30  ASN A C   1 
ATOM   180 O O   . ASN A 1 32 ? -22.83764 7.38767  -3.06000 1.000 21.04214 ? 30  ASN A O   1 
ATOM   181 C CB  . ASN A 1 32 ? -23.92027 8.34106  -0.49839 1.000 19.63078 ? 30  ASN A CB  1 
ATOM   182 C CG  . ASN A 1 32 ? -24.66093 9.55624  -1.03760 1.000 26.09974 ? 30  ASN A CG  1 
ATOM   183 O OD1 . ASN A 1 32 ? -25.03390 9.60220  -2.20772 1.000 24.23636 ? 30  ASN A OD1 1 
ATOM   184 N ND2 . ASN A 1 32 ? -24.86563 10.55772 -0.18805 1.000 26.69462 ? 30  ASN A ND2 1 
ATOM   185 N N   . ALA A 1 33 ? -24.91402 6.63239  -3.49872 1.000 25.39301 ? 31  ALA A N   1 
ATOM   186 C CA  . ALA A 1 33 ? -24.67264 6.44963  -4.91893 1.000 25.85667 ? 31  ALA A CA  1 
ATOM   187 C C   . ALA A 1 33 ? -24.54674 7.75432  -5.66309 1.000 23.26259 ? 31  ALA A C   1 
ATOM   188 O O   . ALA A 1 33 ? -24.32645 7.72571  -6.87419 1.000 29.44354 ? 31  ALA A O   1 
ATOM   189 C CB  . ALA A 1 33 ? -25.81929 5.63579  -5.53739 1.000 28.21752 ? 31  ALA A CB  1 
ATOM   190 N N   . ASN A 1 34 ? -24.72596 8.88916  -5.01226 1.000 23.61929 ? 32  ASN A N   1 
ATOM   191 C CA  . ASN A 1 34 ? -24.73751 10.14351 -5.73641 1.000 23.32947 ? 32  ASN A CA  1 
ATOM   192 C C   . ASN A 1 34 ? -23.50586 10.98629 -5.46351 1.000 24.19959 ? 32  ASN A C   1 
ATOM   193 O O   . ASN A 1 34 ? -23.51344 12.18883 -5.74889 1.000 26.88570 ? 32  ASN A O   1 
ATOM   194 C CB  . ASN A 1 34 ? -26.02660 10.88544 -5.41309 1.000 27.27593 ? 32  ASN A CB  1 
ATOM   195 C CG  . ASN A 1 34 ? -27.23794 10.15165 -5.96402 1.000 36.81426 ? 32  ASN A CG  1 
ATOM   196 O OD1 . ASN A 1 34 ? -27.28809 9.74200  -7.16024 1.000 37.33386 ? 32  ASN A OD1 1 
ATOM   197 N ND2 . ASN A 1 34 ? -28.21244 9.94243  -5.09315 1.000 52.09049 ? 32  ASN A ND2 1 
ATOM   198 N N   . VAL A 1 35 ? -22.43319 10.38110 -4.93789 1.000 19.28352 ? 33  VAL A N   1 
ATOM   199 C CA  . VAL A 1 35 ? -21.23751 11.14530 -4.59765 1.000 16.53986 ? 33  VAL A CA  1 
ATOM   200 C C   . VAL A 1 35 ? -19.99066 10.51541 -5.19214 1.000 17.54431 ? 33  VAL A C   1 
ATOM   201 O O   . VAL A 1 35 ? -19.92539 9.30357  -5.44222 1.000 17.24530 ? 33  VAL A O   1 
ATOM   202 C CB  . VAL A 1 35 ? -21.03350 11.32049 -3.07140 1.000 20.04850 ? 33  VAL A CB  1 
ATOM   203 C CG1 . VAL A 1 35 ? -22.22870 12.06493 -2.44907 1.000 19.27757 ? 33  VAL A CG1 1 
ATOM   204 C CG2 . VAL A 1 35 ? -20.67543 9.98868  -2.35505 1.000 16.28261 ? 33  VAL A CG2 1 
ATOM   205 N N   . LYS A 1 36 ? -19.01134 11.38122 -5.45755 1.000 18.39765 ? 34  LYS A N   1 
ATOM   206 C CA  . LYS A 1 36 ? -17.63385 10.99986 -5.76012 1.000 17.22481 ? 34  LYS A CA  1 
ATOM   207 C C   . LYS A 1 36 ? -16.82744 11.27414 -4.49836 1.000 19.17714 ? 34  LYS A C   1 
ATOM   208 O O   . LYS A 1 36 ? -16.83170 12.41052 -4.00054 1.000 19.16593 ? 34  LYS A O   1 
ATOM   209 C CB  . LYS A 1 36 ? -17.12335 11.87582 -6.91883 1.000 20.95599 ? 34  LYS A CB  1 
ATOM   210 C CG  . LYS A 1 36 ? -15.66606 11.77394 -7.30135 1.000 28.82892 ? 34  LYS A CG  1 
ATOM   211 C CD  . LYS A 1 36 ? -15.25720 12.93250 -8.27952 1.000 26.66538 ? 34  LYS A CD  1 
ATOM   212 C CE  . LYS A 1 36 ? -15.53315 14.32313 -7.70236 1.000 31.13338 ? 34  LYS A CE  1 
ATOM   213 N NZ  . LYS A 1 36 ? -15.14475 15.50070 -8.59612 1.000 29.69417 ? 34  LYS A NZ  1 
ATOM   214 N N   . ALA A 1 37 ? -16.08589 10.26841 -4.04672 1.000 18.38213 ? 35  ALA A N   1 
ATOM   215 C CA  . ALA A 1 37 ? -15.22089 10.38340 -2.88471 1.000 17.99565 ? 35  ALA A CA  1 
ATOM   216 C C   . ALA A 1 37 ? -13.79994 10.63416 -3.37014 1.000 22.44877 ? 35  ALA A C   1 
ATOM   217 O O   . ALA A 1 37 ? -13.34214 9.99814  -4.33606 1.000 23.12617 ? 35  ALA A O   1 
ATOM   218 C CB  . ALA A 1 37 ? -15.31878 9.13372  -2.02126 1.000 18.61172 ? 35  ALA A CB  1 
ATOM   219 N N   . ILE A 1 38 ? -13.13778 11.61024 -2.76222 1.000 17.76379 ? 36  ILE A N   1 
ATOM   220 C CA  . ILE A 1 38 ? -11.79728 12.03336 -3.16622 1.000 21.09389 ? 36  ILE A CA  1 
ATOM   221 C C   . ILE A 1 38 ? -10.89587 11.95767 -1.93906 1.000 23.74935 ? 36  ILE A C   1 
ATOM   222 O O   . ILE A 1 38 ? -11.10810 12.69710 -0.96947 1.000 22.51041 ? 36  ILE A O   1 
ATOM   223 C CB  . ILE A 1 38 ? -11.78171 13.47451 -3.69407 1.000 24.36278 ? 36  ILE A CB  1 
ATOM   224 C CG1 . ILE A 1 38 ? -12.87428 13.71875 -4.73227 1.000 33.84114 ? 36  ILE A CG1 1 
ATOM   225 C CG2 . ILE A 1 38 ? -10.36789 13.81978 -4.22186 1.000 27.93453 ? 36  ILE A CG2 1 
ATOM   226 C CD1 . ILE A 1 38 ? -12.91768 15.19234 -5.17616 1.000 39.05127 ? 36  ILE A CD1 1 
ATOM   227 N N   . VAL A 1 39 ? -9.85613  11.13164 -1.99380 1.000 21.22957 ? 37  VAL A N   1 
ATOM   228 C CA  . VAL A 1 39 ? -8.90129  11.11354 -0.88658 1.000 19.50072 ? 37  VAL A CA  1 
ATOM   229 C C   . VAL A 1 39 ? -8.00861  12.32755 -1.02780 1.000 21.97606 ? 37  VAL A C   1 
ATOM   230 O O   . VAL A 1 39 ? -7.39803  12.54417 -2.09057 1.000 21.32221 ? 37  VAL A O   1 
ATOM   231 C CB  . VAL A 1 39 ? -8.08794  9.81927  -0.90409 1.000 22.01541 ? 37  VAL A CB  1 
ATOM   232 C CG1 . VAL A 1 39 ? -7.06377  9.80665  0.17718  1.000 21.53866 ? 37  VAL A CG1 1 
ATOM   233 C CG2 . VAL A 1 39 ? -9.06679  8.66626  -0.71862 1.000 23.13018 ? 37  VAL A CG2 1 
ATOM   234 N N   . VAL A 1 40 ? -7.91090  13.12510 0.03110  1.000 20.66891 ? 38  VAL A N   1 
ATOM   235 C CA  . VAL A 1 40 ? -7.07875  14.32054 -0.01670 1.000 25.51861 ? 38  VAL A CA  1 
ATOM   236 C C   . VAL A 1 40 ? -6.22747  14.38566 1.24495  1.000 28.24451 ? 38  VAL A C   1 
ATOM   237 O O   . VAL A 1 40 ? -6.65931  13.97690 2.33223  1.000 24.55675 ? 38  VAL A O   1 
ATOM   238 C CB  . VAL A 1 40 ? -7.94796  15.58972 -0.16030 1.000 25.69805 ? 38  VAL A CB  1 
ATOM   239 C CG1 . VAL A 1 40 ? -8.71020  15.59182 -1.47846 1.000 31.39975 ? 38  VAL A CG1 1 
ATOM   240 C CG2 . VAL A 1 40 ? -8.95935  15.58013 0.90758  1.000 30.94744 ? 38  VAL A CG2 1 
ATOM   241 N N   . LYS A 1 41 ? -5.02891  14.95362 1.10987  1.000 23.07117 ? 39  LYS A N   1 
ATOM   242 C CA  . LYS A 1 41 ? -4.17196  15.13197 2.27157  1.000 24.25727 ? 39  LYS A CA  1 
ATOM   243 C C   . LYS A 1 41 ? -4.77441  16.15502 3.24448  1.000 28.66040 ? 39  LYS A C   1 
ATOM   244 O O   . LYS A 1 41 ? -5.13619  17.26783 2.84549  1.000 27.44731 ? 39  LYS A O   1 
ATOM   245 C CB  . LYS A 1 41 ? -2.78695  15.61079 1.84316  1.000 29.35606 ? 39  LYS A CB  1 
ATOM   246 C CG  . LYS A 1 41 ? -1.86659  15.87778 3.02423  1.000 37.04982 ? 39  LYS A CG  1 
ATOM   247 C CD  . LYS A 1 41 ? -1.60859  14.60301 3.81870  1.000 37.32939 ? 39  LYS A CD  1 
ATOM   248 C CE  . LYS A 1 41 ? -0.88893  14.92909 5.12228  1.000 40.09026 ? 39  LYS A CE  1 
ATOM   249 N NZ  . LYS A 1 41 ? 0.38922   15.65549 4.87369  1.000 41.01471 ? 39  LYS A NZ  1 
ATOM   250 N N   . GLU A 1 42 ? -4.83046  15.80913 4.52734  1.000 25.66496 ? 40  GLU A N   1 
ATOM   251 C CA  . GLU A 1 42 ? -5.38757  16.73978 5.50847  1.000 30.78436 ? 40  GLU A CA  1 
ATOM   252 C C   . GLU A 1 42 ? -4.68323  18.09259 5.47125  1.000 31.85158 ? 40  GLU A C   1 
ATOM   253 O O   . GLU A 1 42 ? -3.45584  18.18524 5.35120  1.000 29.83180 ? 40  GLU A O   1 
ATOM   254 C CB  . GLU A 1 42 ? -5.29545  16.15750 6.91399  1.000 35.13869 ? 40  GLU A CB  1 
ATOM   255 C CG  . GLU A 1 42 ? -3.88571  15.80411 7.31968  1.000 34.69671 ? 40  GLU A CG  1 
ATOM   256 C CD  . GLU A 1 42 ? -3.79431  15.29309 8.76673  1.000 46.78985 ? 40  GLU A CD  1 
ATOM   257 O OE1 . GLU A 1 42 ? -4.85848  15.14099 9.41688  1.000 41.79651 ? 40  GLU A OE1 1 
ATOM   258 O OE2 . GLU A 1 42 ? -2.65916  15.05690 9.25021  1.000 44.96978 ? 40  GLU A OE2 1 
ATOM   259 N N   . GLY A 1 43 ? -5.48043  19.16492 5.57451  1.000 32.42218 ? 41  GLY A N   1 
ATOM   260 C CA  . GLY A 1 43 ? -4.95677  20.51108 5.51063  1.000 35.16234 ? 41  GLY A CA  1 
ATOM   261 C C   . GLY A 1 43 ? -4.90712  21.11060 4.12744  1.000 37.09056 ? 41  GLY A C   1 
ATOM   262 O O   . GLY A 1 43 ? -4.45999  22.25896 3.97536  1.000 34.50837 ? 41  GLY A O   1 
ATOM   263 N N   . LEU A 1 44 ? -5.32922  20.37553 3.11754  1.000 34.32060 ? 42  LEU A N   1 
ATOM   264 C CA  . LEU A 1 44 ? -5.38575  20.93991 1.78503  1.000 39.37062 ? 42  LEU A CA  1 
ATOM   265 C C   . LEU A 1 44 ? -6.26659  22.19156 1.79662  1.000 38.89016 ? 42  LEU A C   1 
ATOM   266 O O   . LEU A 1 44 ? -7.43516  22.12135 2.21754  1.000 40.24518 ? 42  LEU A O   1 
ATOM   267 C CB  . LEU A 1 44 ? -5.93438  19.87796 0.83636  1.000 39.55141 ? 42  LEU A CB  1 
ATOM   268 C CG  . LEU A 1 44 ? -6.14017  20.26439 -0.61089 1.000 34.94861 ? 42  LEU A CG  1 
ATOM   269 C CD1 . LEU A 1 44 ? -4.80367  20.21402 -1.31115 1.000 35.47514 ? 42  LEU A CD1 1 
ATOM   270 C CD2 . LEU A 1 44 ? -7.13122  19.25590 -1.16300 1.000 36.40662 ? 42  LEU A CD2 1 
ATOM   271 N N   . PRO A 1 45 ? -5.75171  23.34733 1.39301  1.000 42.12792 ? 43  PRO A N   1 
ATOM   272 C CA  . PRO A 1 45 ? -6.61548  24.53171 1.28568  1.000 53.80605 ? 43  PRO A CA  1 
ATOM   273 C C   . PRO A 1 45 ? -7.75760  24.28694 0.29798  1.000 57.59950 ? 43  PRO A C   1 
ATOM   274 O O   . PRO A 1 45 ? -7.54248  23.83264 -0.83414 1.000 50.29206 ? 43  PRO A O   1 
ATOM   275 C CB  . PRO A 1 45 ? -5.65639  25.62898 0.79927  1.000 51.95237 ? 43  PRO A CB  1 
ATOM   276 C CG  . PRO A 1 45 ? -4.27644  25.12884 1.13970  1.000 43.53403 ? 43  PRO A CG  1 
ATOM   277 C CD  . PRO A 1 45 ? -4.34343  23.63342 1.06587  1.000 44.14395 ? 43  PRO A CD  1 
ATOM   278 N N   . ILE A 1 46 ? -8.98768  24.55772 0.74916  1.000 60.49248 ? 44  ILE A N   1 
ATOM   279 C CA  . ILE A 1 46 ? -10.17648 24.44109 -0.08921 1.000 62.09560 ? 44  ILE A CA  1 
ATOM   280 C C   . ILE A 1 46 ? -10.95973 25.73833 0.00544  1.000 67.27795 ? 44  ILE A C   1 
ATOM   281 O O   . ILE A 1 46 ? -10.91841 26.43803 1.02381  1.000 66.35411 ? 44  ILE A O   1 
ATOM   282 C CB  . ILE A 1 46 ? -11.08037 23.25148 0.30993  1.000 62.54171 ? 44  ILE A CB  1 
ATOM   283 C CG1 . ILE A 1 46 ? -11.55657 23.40324 1.76000  1.000 64.42767 ? 44  ILE A CG1 1 
ATOM   284 C CG2 . ILE A 1 46 ? -10.35552 21.92992 0.07478  1.000 57.19554 ? 44  ILE A CG2 1 
ATOM   285 C CD1 . ILE A 1 46 ? -12.44490 22.26884 2.24577  1.000 56.92357 ? 44  ILE A CD1 1 
ATOM   286 N N   . THR A 1 47 ? -11.67590 26.06030 -1.06944 1.000 71.36038 ? 45  THR A N   1 
ATOM   287 C CA  . THR A 1 47 ? -12.56695 27.20698 -1.02796 1.000 71.34868 ? 45  THR A CA  1 
ATOM   288 C C   . THR A 1 47 ? -13.86728 26.81075 -0.33541 1.000 74.47503 ? 45  THR A C   1 
ATOM   289 O O   . THR A 1 47 ? -14.03152 25.68488 0.15387  1.000 72.05934 ? 45  THR A O   1 
ATOM   290 C CB  . THR A 1 47 ? -12.84333 27.73990 -2.42928 1.000 67.10590 ? 45  THR A CB  1 
ATOM   291 O OG1 . THR A 1 47 ? -13.65565 26.79195 -3.13811 1.000 69.65399 ? 45  THR A OG1 1 
ATOM   292 C CG2 . THR A 1 47 ? -11.53231 27.98105 -3.18314 1.000 61.03766 ? 45  THR A CG2 1 
ATOM   293 N N   . GLN A 1 48 ? -14.80983 27.75184 -0.29611 1.000 74.83322 ? 46  GLN A N   1 
ATOM   294 C CA  . GLN A 1 48 ? -16.09758 27.53643 0.34582  1.000 79.07762 ? 46  GLN A CA  1 
ATOM   295 C C   . GLN A 1 48 ? -17.16799 27.06715 -0.64048 1.000 77.40081 ? 46  GLN A C   1 
ATOM   296 O O   . GLN A 1 48 ? -18.35657 27.06582 -0.29647 1.000 73.03492 ? 46  GLN A O   1 
ATOM   297 C CB  . GLN A 1 48 ? -16.53116 28.80953 1.07218  1.000 68.45306 ? 46  GLN A CB  1 
ATOM   298 C CG  . GLN A 1 48 ? -15.50971 29.25931 2.09421  1.000 66.42770 ? 46  GLN A CG  1 
ATOM   299 C CD  . GLN A 1 48 ? -15.64357 30.71672 2.46613  1.000 74.54343 ? 46  GLN A CD  1 
ATOM   300 O OE1 . GLN A 1 48 ? -16.56207 31.40946 2.01095  1.000 78.63215 ? 46  GLN A OE1 1 
ATOM   301 N NE2 . GLN A 1 48 ? -14.71672 31.20191 3.29327  1.000 72.20524 ? 46  GLN A NE2 1 
ATOM   302 N N   . ASP A 1 49 ? -16.76004 26.65930 -1.85130 1.000 68.27987 ? 47  ASP A N   1 
ATOM   303 C CA  . ASP A 1 49 ? -17.65942 26.03143 -2.81908 1.000 57.74158 ? 47  ASP A CA  1 
ATOM   304 C C   . ASP A 1 49 ? -18.30715 24.76186 -2.25834 1.000 47.14331 ? 47  ASP A C   1 
ATOM   305 O O   . ASP A 1 49 ? -17.62550 23.81808 -1.84303 1.000 46.79774 ? 47  ASP A O   1 
ATOM   306 C CB  . ASP A 1 49 ? -16.88529 25.69736 -4.09151 1.000 59.45010 ? 47  ASP A CB  1 
ATOM   307 C CG  . ASP A 1 49 ? -15.94885 24.50314 -3.90936 1.000 63.31318 ? 47  ASP A CG  1 
ATOM   308 O OD1 . ASP A 1 49 ? -15.20853 24.45908 -2.89348 1.000 65.00111 ? 47  ASP A OD1 1 
ATOM   309 O OD2 . ASP A 1 49 ? -15.98675 23.58801 -4.76799 1.000 61.78970 ? 47  ASP A OD2 1 
ATOM   310 N N   . LEU A 1 50 ? -19.63370 24.74487 -2.24217 1.000 35.00449 ? 48  LEU A N   1 
ATOM   311 C CA  . LEU A 1 50 ? -20.40906 23.61538 -1.75418 1.000 37.37951 ? 48  LEU A CA  1 
ATOM   312 C C   . LEU A 1 50 ? -20.71832 22.72876 -2.96590 1.000 41.84339 ? 48  LEU A C   1 
ATOM   313 O O   . LEU A 1 50 ? -21.37416 23.15991 -3.93411 1.000 37.95628 ? 48  LEU A O   1 
ATOM   314 C CB  . LEU A 1 50 ? -21.67010 24.09096 -1.03080 1.000 39.55100 ? 48  LEU A CB  1 
ATOM   315 C CG  . LEU A 1 50 ? -22.58674 23.16354 -0.22124 1.000 40.54150 ? 48  LEU A CG  1 
ATOM   316 C CD1 . LEU A 1 50 ? -21.84645 22.20414 0.70787  1.000 47.55991 ? 48  LEU A CD1 1 
ATOM   317 C CD2 . LEU A 1 50 ? -23.57203 24.01671 0.56461  1.000 40.54988 ? 48  LEU A CD2 1 
ATOM   318 N N   . ASN A 1 51 ? -20.17655 21.51983 -2.94566 1.000 35.94448 ? 49  ASN A N   1 
ATOM   319 C CA  . ASN A 1 51 ? -20.45525 20.52027 -3.96744 1.000 29.03277 ? 49  ASN A CA  1 
ATOM   320 C C   . ASN A 1 51 ? -21.08570 19.34585 -3.24255 1.000 29.48190 ? 49  ASN A C   1 
ATOM   321 O O   . ASN A 1 51 ? -20.38665 18.55415 -2.60353 1.000 27.36136 ? 49  ASN A O   1 
ATOM   322 C CB  . ASN A 1 51 ? -19.20687 20.09761 -4.71952 1.000 29.07751 ? 49  ASN A CB  1 
ATOM   323 C CG  . ASN A 1 51 ? -19.53494 19.12388 -5.85937 1.000 28.41146 ? 49  ASN A CG  1 
ATOM   324 O OD1 . ASN A 1 51 ? -20.53708 18.42529 -5.80739 1.000 25.73309 ? 49  ASN A OD1 1 
ATOM   325 N ND2 . ASN A 1 51 ? -18.67505 19.05772 -6.86521 1.000 31.77323 ? 49  ASN A ND2 1 
ATOM   326 N N   . PHE A 1 52 ? -22.40015 19.22753 -3.37410 1.000 28.35388 ? 50  PHE A N   1 
ATOM   327 C CA  . PHE A 1 52 ? -23.13558 18.17826 -2.69546 1.000 35.80766 ? 50  PHE A CA  1 
ATOM   328 C C   . PHE A 1 52 ? -22.85052 16.80056 -3.25657 1.000 31.50440 ? 50  PHE A C   1 
ATOM   329 O O   . PHE A 1 52 ? -23.25393 15.81082 -2.62514 1.000 33.28591 ? 50  PHE A O   1 
ATOM   330 C CB  . PHE A 1 52 ? -24.63018 18.45258 -2.77734 1.000 36.09540 ? 50  PHE A CB  1 
ATOM   331 C CG  . PHE A 1 52 ? -25.03390 19.68043 -2.04928 1.000 38.60263 ? 50  PHE A CG  1 
ATOM   332 C CD1 . PHE A 1 52 ? -24.76425 19.82258 -0.68712 1.000 37.55060 ? 50  PHE A CD1 1 
ATOM   333 C CD2 . PHE A 1 52 ? -25.66078 20.70938 -2.72852 1.000 41.35721 ? 50  PHE A CD2 1 
ATOM   334 C CE1 . PHE A 1 52 ? -25.14438 20.97622 -0.00961 1.000 38.82607 ? 50  PHE A CE1 1 
ATOM   335 C CE2 . PHE A 1 52 ? -26.03882 21.84578 -2.07564 1.000 39.70036 ? 50  PHE A CE2 1 
ATOM   336 C CZ  . PHE A 1 52 ? -25.78651 21.97325 -0.70269 1.000 39.28032 ? 50  PHE A CZ  1 
ATOM   337 N N   . ASN A 1 53 ? -22.18623 16.71150 -4.42562 1.000 25.34939 ? 51  ASN A N   1 
ATOM   338 C CA  . ASN A 1 53 ? -21.83950 15.43910 -5.03715 1.000 23.56364 ? 51  ASN A CA  1 
ATOM   339 C C   . ASN A 1 53 ? -20.41248 15.02037 -4.76427 1.000 23.76933 ? 51  ASN A C   1 
ATOM   340 O O   . ASN A 1 53 ? -19.92433 14.12904 -5.44372 1.000 20.63305 ? 51  ASN A O   1 
ATOM   341 C CB  . ASN A 1 53 ? -22.04424 15.46939 -6.54529 1.000 26.45891 ? 51  ASN A CB  1 
ATOM   342 C CG  . ASN A 1 53 ? -23.45391 15.76833 -6.91996 1.000 30.25587 ? 51  ASN A CG  1 
ATOM   343 O OD1 . ASN A 1 53 ? -23.75419 16.84412 -7.44026 1.000 28.91846 ? 51  ASN A OD1 1 
ATOM   344 N ND2 . ASN A 1 53 ? -24.33621 14.81507 -6.67161 1.000 29.73993 ? 51  ASN A ND2 1 
ATOM   345 N N   . ARG A 1 54 ? -19.75147 15.63378 -3.78800 1.000 22.61494 ? 52  ARG A N   1 
ATOM   346 C CA  . ARG A 1 54 ? -18.34766 15.37483 -3.48414 1.000 22.67771 ? 52  ARG A CA  1 
ATOM   347 C C   . ARG A 1 54 ? -18.21729 15.01830 -2.00355 1.000 22.67995 ? 52  ARG A C   1 
ATOM   348 O O   . ARG A 1 54 ? -18.82649 15.66513 -1.13317 1.000 22.21301 ? 52  ARG A O   1 
ATOM   349 C CB  . ARG A 1 54 ? -17.47083 16.60770 -3.80096 1.000 27.48122 ? 52  ARG A CB  1 
ATOM   350 C CG  . ARG A 1 54 ? -16.02475 16.47434 -3.37589 1.000 27.94276 ? 52  ARG A CG  1 
ATOM   351 C CD  . ARG A 1 54 ? -15.23194 17.75454 -3.68675 1.000 28.29567 ? 52  ARG A CD  1 
ATOM   352 N NE  . ARG A 1 54 ? -15.86095 18.90968 -3.07273 1.000 33.33882 ? 52  ARG A NE  1 
ATOM   353 C CZ  . ARG A 1 54 ? -15.73882 20.15478 -3.52665 1.000 40.56537 ? 52  ARG A CZ  1 
ATOM   354 N NH1 . ARG A 1 54 ? -14.96586 20.43786 -4.56632 1.000 38.71970 ? 52  ARG A NH1 1 
ATOM   355 N NH2 . ARG A 1 54 ? -16.42771 21.13469 -2.93945 1.000 38.00918 ? 52  ARG A NH2 1 
ATOM   356 N N   . VAL A 1 55 ? -17.42944 13.99809 -1.69893 1.000 17.05362 ? 53  VAL A N   1 
ATOM   357 C CA  . VAL A 1 55 ? -17.06712 13.74846 -0.31830 1.000 19.76153 ? 53  VAL A CA  1 
ATOM   358 C C   . VAL A 1 55 ? -15.54691 13.77284 -0.25098 1.000 20.01468 ? 53  VAL A C   1 
ATOM   359 O O   . VAL A 1 55 ? -14.90495 12.81857 -0.66871 1.000 18.93643 ? 53  VAL A O   1 
ATOM   360 C CB  . VAL A 1 55 ? -17.62743 12.41768 0.20088  1.000 18.15642 ? 53  VAL A CB  1 
ATOM   361 C CG1 . VAL A 1 55 ? -17.04044 12.10648 1.56247  1.000 15.97961 ? 53  VAL A CG1 1 
ATOM   362 C CG2 . VAL A 1 55 ? -19.16645 12.44723 0.23431  1.000 18.03093 ? 53  VAL A CG2 1 
ATOM   363 N N   . ARG A 1 56 ? -14.97154 14.82362 0.34058  1.000 18.18752 ? 54  ARG A N   1 
ATOM   364 C CA  . ARG A 1 56 ? -13.52482 14.81930 0.59168  1.000 19.50310 ? 54  ARG A CA  1 
ATOM   365 C C   . ARG A 1 56 ? -13.19417 13.89913 1.75996  1.000 19.52412 ? 54  ARG A C   1 
ATOM   366 O O   . ARG A 1 56 ? -13.81415 13.96617 2.82939  1.000 21.89296 ? 54  ARG A O   1 
ATOM   367 C CB  . ARG A 1 56 ? -13.02911 16.21028 0.90507  1.000 20.45659 ? 54  ARG A CB  1 
ATOM   368 C CG  . ARG A 1 56 ? -13.15538 17.15986 -0.28083 1.000 23.95111 ? 54  ARG A CG  1 
ATOM   369 C CD  . ARG A 1 56 ? -12.47705 18.45564 0.09498  1.000 28.43271 ? 54  ARG A CD  1 
ATOM   370 N NE  . ARG A 1 56 ? -12.51348 19.43108 -0.98955 1.000 37.92576 ? 54  ARG A NE  1 
ATOM   371 C CZ  . ARG A 1 56 ? -13.31400 20.49237 -1.02551 1.000 44.26540 ? 54  ARG A CZ  1 
ATOM   372 N NH1 . ARG A 1 56 ? -14.19015 20.74033 -0.05086 1.000 39.82824 ? 54  ARG A NH1 1 
ATOM   373 N NH2 . ARG A 1 56 ? -13.23978 21.32348 -2.06655 1.000 41.85391 ? 54  ARG A NH2 1 
ATOM   374 N N   . VAL A 1 57 ? -12.22771 13.03037 1.55707  1.000 16.39986 ? 55  VAL A N   1 
ATOM   375 C CA  . VAL A 1 57 ? -11.79979 12.07261 2.56586  1.000 16.11028 ? 55  VAL A CA  1 
ATOM   376 C C   . VAL A 1 57 ? -10.41095 12.51706 3.00948  1.000 20.19403 ? 55  VAL A C   1 
ATOM   377 O O   . VAL A 1 57 ? -9.42696  12.27181 2.29782  1.000 19.10750 ? 55  VAL A O   1 
ATOM   378 C CB  . VAL A 1 57 ? -11.80328 10.64290 2.02100  1.000 17.29450 ? 55  VAL A CB  1 
ATOM   379 C CG1 . VAL A 1 57 ? -11.24409 9.68059  3.07476  1.000 20.28286 ? 55  VAL A CG1 1 
ATOM   380 C CG2 . VAL A 1 57 ? -13.23309 10.25219 1.58316  1.000 18.42888 ? 55  VAL A CG2 1 
ATOM   381 N N   . PHE A 1 58 ? -10.32650 13.21485 4.16047  1.000 20.26192 ? 56  PHE A N   1 
ATOM   382 C CA  . PHE A 1 58 ? -9.05475  13.79789 4.58281  1.000 17.97734 ? 56  PHE A CA  1 
ATOM   383 C C   . PHE A 1 58 ? -8.20606  12.77705 5.33915  1.000 23.50465 ? 56  PHE A C   1 
ATOM   384 O O   . PHE A 1 58 ? -8.68492  12.13915 6.29356  1.000 20.96569 ? 56  PHE A O   1 
ATOM   385 C CB  . PHE A 1 58 ? -9.27762  15.03062 5.44611  1.000 21.26595 ? 56  PHE A CB  1 
ATOM   386 C CG  . PHE A 1 58 ? -9.81849  16.19255 4.70263  1.000 25.73789 ? 56  PHE A CG  1 
ATOM   387 C CD1 . PHE A 1 58 ? -8.97942  17.00133 3.93753  1.000 27.47372 ? 56  PHE A CD1 1 
ATOM   388 C CD2 . PHE A 1 58 ? -11.15424 16.49071 4.76895  1.000 29.01561 ? 56  PHE A CD2 1 
ATOM   389 C CE1 . PHE A 1 58 ? -9.46895  18.11411 3.24134  1.000 29.19728 ? 56  PHE A CE1 1 
ATOM   390 C CE2 . PHE A 1 58 ? -11.66258 17.62777 4.06438  1.000 31.32667 ? 56  PHE A CE2 1 
ATOM   391 C CZ  . PHE A 1 58 ? -10.80876 18.41260 3.29221  1.000 31.06972 ? 56  PHE A CZ  1 
ATOM   392 N N   . VAL A 1 59 ? -6.94846  12.61629 4.90652  1.000 19.74626 ? 57  VAL A N   1 
ATOM   393 C CA  . VAL A 1 59 ? -6.09428  11.54349 5.40819  1.000 20.43420 ? 57  VAL A CA  1 
ATOM   394 C C   . VAL A 1 59 ? -4.74199  12.08573 5.81874  1.000 26.26683 ? 57  VAL A C   1 
ATOM   395 O O   . VAL A 1 59 ? -4.29183  13.15294 5.37940  1.000 24.49822 ? 57  VAL A O   1 
ATOM   396 C CB  . VAL A 1 59 ? -5.88107  10.39176 4.39986  1.000 23.11911 ? 57  VAL A CB  1 
ATOM   397 C CG1 . VAL A 1 59 ? -7.20065  9.76813  4.02691  1.000 20.59703 ? 57  VAL A CG1 1 
ATOM   398 C CG2 . VAL A 1 59 ? -5.10551  10.88227 3.17592  1.000 21.72804 ? 57  VAL A CG2 1 
ATOM   399 N N   . ASP A 1 60 ? -4.09213  11.32382 6.68768  1.000 24.20438 ? 58  ASP A N   1 
ATOM   400 C CA  . ASP A 1 60 ? -2.75576  11.67783 7.11950  1.000 28.92058 ? 58  ASP A CA  1 
ATOM   401 C C   . ASP A 1 60 ? -1.71945  11.08167 6.16217  1.000 26.86729 ? 58  ASP A C   1 
ATOM   402 O O   . ASP A 1 60 ? -2.05096  10.52893 5.10647  1.000 28.20427 ? 58  ASP A O   1 
ATOM   403 C CB  . ASP A 1 60 ? -2.52521  11.25724 8.57787  1.000 35.70246 ? 58  ASP A CB  1 
ATOM   404 C CG  . ASP A 1 60 ? -2.52849  9.73392  8.79359  1.000 35.15622 ? 58  ASP A CG  1 
ATOM   405 O OD1 . ASP A 1 60 ? -2.44150  8.96111  7.84012  1.000 30.90126 ? 58  ASP A OD1 1 
ATOM   406 O OD2 . ASP A 1 60 ? -2.58766  9.31926  9.97116  1.000 38.32299 ? 58  ASP A OD2 1 
ATOM   407 N N   . GLU A 1 61 ? -0.44651  11.19915 6.55957  1.000 32.34198 ? 59  GLU A N   1 
ATOM   408 C CA  . GLU A 1 61 ? 0.67049   10.76764 5.73280  1.000 35.88152 ? 59  GLU A CA  1 
ATOM   409 C C   . GLU A 1 61 ? 0.66204   9.25252  5.50509  1.000 38.03038 ? 59  GLU A C   1 
ATOM   410 O O   . GLU A 1 61 ? 1.23902   8.78352  4.50932  1.000 40.45733 ? 59  GLU A O   1 
ATOM   411 C CB  . GLU A 1 61 ? 1.98636   11.25565 6.37496  1.000 36.96003 ? 59  GLU A CB  1 
ATOM   412 C CG  . GLU A 1 61 ? 2.20631   10.79825 7.84118  1.000 46.61870 ? 59  GLU A CG  1 
ATOM   413 C CD  . GLU A 1 61 ? 1.67407   11.76631 8.94537  1.000 54.63874 ? 59  GLU A CD  1 
ATOM   414 O OE1 . GLU A 1 61 ? 0.73409   12.57873 8.70525  1.000 45.46283 ? 59  GLU A OE1 1 
ATOM   415 O OE2 . GLU A 1 61 ? 2.22398   11.70649 10.07765 1.000 59.19557 ? 59  GLU A OE2 1 
ATOM   416 N N   . ASN A 1 62 ? 0.00067   8.48169  6.38402  1.000 34.17785 ? 60  ASN A N   1 
ATOM   417 C CA  . ASN A 1 62 ? -0.19010  7.03853  6.21763  1.000 32.99036 ? 60  ASN A CA  1 
ATOM   418 C C   . ASN A 1 62 ? -1.52333  6.68881  5.57777  1.000 31.43500 ? 60  ASN A C   1 
ATOM   419 O O   . ASN A 1 62 ? -1.92627  5.51759  5.61426  1.000 36.02600 ? 60  ASN A O   1 
ATOM   420 C CB  . ASN A 1 62 ? -0.10385  6.33013  7.55401  1.000 33.08451 ? 60  ASN A CB  1 
ATOM   421 C CG  . ASN A 1 62 ? 1.23515   6.51547  8.20361  1.000 42.43593 ? 60  ASN A CG  1 
ATOM   422 O OD1 . ASN A 1 62 ? 2.25051   6.03279  7.70048  1.000 45.99215 ? 60  ASN A OD1 1 
ATOM   423 N ND2 . ASN A 1 62 ? 1.25425   7.22898  9.31601  1.000 45.49547 ? 60  ASN A ND2 1 
ATOM   424 N N   . ARG A 1 63 ? -2.22013  7.69053  5.02417  1.000 26.07231 ? 61  ARG A N   1 
ATOM   425 C CA  . ARG A 1 63 ? -3.49814  7.54980  4.34867  1.000 26.22005 ? 61  ARG A CA  1 
ATOM   426 C C   . ARG A 1 63 ? -4.60492  7.06369  5.27372  1.000 26.27016 ? 61  ARG A C   1 
ATOM   427 O O   . ARG A 1 63 ? -5.57004  6.45008  4.80350  1.000 25.04472 ? 61  ARG A O   1 
ATOM   428 C CB  . ARG A 1 63 ? -3.37252  6.62713  3.12801  1.000 34.88618 ? 61  ARG A CB  1 
ATOM   429 C CG  . ARG A 1 63 ? -2.34405  7.14643  2.13492  1.000 32.37204 ? 61  ARG A CG  1 
ATOM   430 C CD  . ARG A 1 63 ? -2.38031  6.37332  0.78318  1.000 38.70308 ? 61  ARG A CD  1 
ATOM   431 N NE  . ARG A 1 63 ? -3.54986  6.71714  -0.01866 1.000 35.77376 ? 61  ARG A NE  1 
ATOM   432 C CZ  . ARG A 1 63 ? -3.66441  7.83461  -0.72041 1.000 34.88467 ? 61  ARG A CZ  1 
ATOM   433 N NH1 . ARG A 1 63 ? -2.72063  8.76441  -0.69825 1.000 35.37989 ? 61  ARG A NH1 1 
ATOM   434 N NH2 . ARG A 1 63 ? -4.74049  8.01830  -1.47219 1.000 31.21646 ? 61  ARG A NH2 1 
ATOM   435 N N   . VAL A 1 64 ? -4.50264  7.35625  6.57827  1.000 20.08032 ? 62  VAL A N   1 
ATOM   436 C CA  . VAL A 1 64 ? -5.56690  7.05343  7.52909  1.000 23.01161 ? 62  VAL A CA  1 
ATOM   437 C C   . VAL A 1 64 ? -6.49507  8.24898  7.63092  1.000 20.86608 ? 62  VAL A C   1 
ATOM   438 O O   . VAL A 1 64 ? -6.02301  9.38415  7.77006  1.000 21.84686 ? 62  VAL A O   1 
ATOM   439 C CB  . VAL A 1 64 ? -4.98635  6.71427  8.90823  1.000 23.29294 ? 62  VAL A CB  1 
ATOM   440 C CG1 . VAL A 1 64 ? -6.10573  6.49861  9.89626  1.000 28.23067 ? 62  VAL A CG1 1 
ATOM   441 C CG2 . VAL A 1 64 ? -4.10434  5.48071  8.78341  1.000 32.25268 ? 62  VAL A CG2 1 
ATOM   442 N N   . VAL A 1 65 ? -7.80236  7.99726  7.56465  1.000 19.44891 ? 63  VAL A N   1 
ATOM   443 C CA  . VAL A 1 65 ? -8.79464  9.07256  7.67401  1.000 18.00473 ? 63  VAL A CA  1 
ATOM   444 C C   . VAL A 1 65 ? -8.69711  9.76995  9.02327  1.000 21.51093 ? 63  VAL A C   1 
ATOM   445 O O   . VAL A 1 65 ? -8.82553  9.13346  10.07600 1.000 20.27119 ? 63  VAL A O   1 
ATOM   446 C CB  . VAL A 1 65 ? -10.20237 8.48850  7.47551  1.000 15.87898 ? 63  VAL A CB  1 
ATOM   447 C CG1 . VAL A 1 65 ? -11.25634 9.59424  7.62828  1.000 16.31053 ? 63  VAL A CG1 1 
ATOM   448 C CG2 . VAL A 1 65 ? -10.32287 7.76861  6.11231  1.000 18.80040 ? 63  VAL A CG2 1 
ATOM   449 N N   . THR A 1 66 ? -8.55954  11.11755 9.00750  1.000 18.28669 ? 64  THR A N   1 
ATOM   450 C CA  . THR A 1 66 ? -8.37057  11.84764 10.25603 1.000 18.74380 ? 64  THR A CA  1 
ATOM   451 C C   . THR A 1 66 ? -9.53239  12.77039 10.60935 1.000 24.03579 ? 64  THR A C   1 
ATOM   452 O O   . THR A 1 66 ? -9.53445  13.34410 11.70767 1.000 23.05969 ? 64  THR A O   1 
ATOM   453 C CB  . THR A 1 66 ? -7.08736  12.68831 10.20049 1.000 27.70839 ? 64  THR A CB  1 
ATOM   454 O OG1 . THR A 1 66 ? -7.17594  13.56570 9.06852  1.000 26.89150 ? 64  THR A OG1 1 
ATOM   455 C CG2 . THR A 1 66 ? -5.85390  11.78822 10.06968 1.000 31.30737 ? 64  THR A CG2 1 
ATOM   456 N N   . GLN A 1 67 ? -10.49681 12.95864 9.70666  1.000 21.21915 ? 65  GLN A N   1 
ATOM   457 C CA  . GLN A 1 67 ? -11.62808 13.84489 9.96907  1.000 20.91887 ? 65  GLN A CA  1 
ATOM   458 C C   . GLN A 1 67 ? -12.86240 13.13300 9.45851  1.000 17.49010 ? 65  GLN A C   1 
ATOM   459 O O   . GLN A 1 67 ? -12.76155 12.32608 8.54627  1.000 19.15858 ? 65  GLN A O   1 
ATOM   460 C CB  . GLN A 1 67 ? -11.47299 15.18748 9.22978  1.000 23.16037 ? 65  GLN A CB  1 
ATOM   461 C CG  . GLN A 1 67 ? -10.17093 15.85295 9.54144  1.000 29.95990 ? 65  GLN A CG  1 
ATOM   462 C CD  . GLN A 1 67 ? -9.99118  17.13852 8.71938  1.000 40.56938 ? 65  GLN A CD  1 
ATOM   463 O OE1 . GLN A 1 67 ? -10.95207 17.66336 8.13335  1.000 45.49233 ? 65  GLN A OE1 1 
ATOM   464 N NE2 . GLN A 1 67 ? -8.76244  17.61873 8.65075  1.000 45.00458 ? 65  GLN A NE2 1 
ATOM   465 N N   . VAL A 1 68 ? -14.02291 13.44164 10.05832 1.000 19.96959 ? 66  VAL A N   1 
ATOM   466 C CA  . VAL A 1 68 ? -15.26354 12.78248 9.64184  1.000 19.10401 ? 66  VAL A CA  1 
ATOM   467 C C   . VAL A 1 68 ? -15.56732 13.14792 8.18760  1.000 17.45674 ? 66  VAL A C   1 
ATOM   468 O O   . VAL A 1 68 ? -15.74614 14.33805 7.90114  1.000 17.39590 ? 66  VAL A O   1 
ATOM   469 C CB  . VAL A 1 68 ? -16.44111 13.20325 10.53583 1.000 19.63323 ? 66  VAL A CB  1 
ATOM   470 C CG1 . VAL A 1 68 ? -17.73575 12.59479 9.93772  1.000 18.65015 ? 66  VAL A CG1 1 
ATOM   471 C CG2 . VAL A 1 68 ? -16.17699 12.72876 11.95330 1.000 16.57891 ? 66  VAL A CG2 1 
ATOM   472 N N   . PRO A 1 69 ? -15.59254 12.20399 7.24497  1.000 16.30291 ? 67  PRO A N   1 
ATOM   473 C CA  . PRO A 1 69 ? -15.96051 12.57560 5.85704  1.000 17.31491 ? 67  PRO A CA  1 
ATOM   474 C C   . PRO A 1 69 ? -17.42153 12.99259 5.78955  1.000 16.72704 ? 67  PRO A C   1 
ATOM   475 O O   . PRO A 1 69 ? -18.27804 12.36935 6.42434  1.000 17.89628 ? 67  PRO A O   1 
ATOM   476 C CB  . PRO A 1 69 ? -15.75476 11.27199 5.06594  1.000 16.30727 ? 67  PRO A CB  1 
ATOM   477 C CG  . PRO A 1 69 ? -14.74775 10.49631 5.86256  1.000 16.06510 ? 67  PRO A CG  1 
ATOM   478 C CD  . PRO A 1 69 ? -15.18036 10.79828 7.33192  1.000 16.43933 ? 67  PRO A CD  1 
ATOM   479 N N   . ALA A 1 70 ? -17.70348 14.04138 5.00703  1.000 17.44398 ? 68  ALA A N   1 
ATOM   480 C CA  . ALA A 1 70 ? -19.08393 14.44137 4.80729  1.000 17.08701 ? 68  ALA A CA  1 
ATOM   481 C C   . ALA A 1 70 ? -19.21249 15.06682 3.42843  1.000 22.49065 ? 68  ALA A C   1 
ATOM   482 O O   . ALA A 1 70 ? -18.22694 15.48176 2.83419  1.000 20.33444 ? 68  ALA A O   1 
ATOM   483 C CB  . ALA A 1 70 ? -19.51019 15.42528 5.88194  1.000 19.44314 ? 68  ALA A CB  1 
ATOM   484 N N   . ILE A 1 71 ? -20.43859 15.13435 2.91595  1.000 20.50252 ? 69  ILE A N   1 
ATOM   485 C CA  . ILE A 1 71 ? -20.58703 15.75581 1.60468  1.000 22.37093 ? 69  ILE A CA  1 
ATOM   486 C C   . ILE A 1 71 ? -20.19805 17.22546 1.71544  1.000 31.10659 ? 69  ILE A C   1 
ATOM   487 O O   . ILE A 1 71 ? -20.20587 17.83288 2.81056  1.000 29.53778 ? 69  ILE A O   1 
ATOM   488 C CB  . ILE A 1 71 ? -22.00775 15.61662 1.04145  1.000 28.79123 ? 69  ILE A CB  1 
ATOM   489 C CG1 . ILE A 1 71 ? -23.01809 16.28731 1.97618  1.000 34.62722 ? 69  ILE A CG1 1 
ATOM   490 C CG2 . ILE A 1 71 ? -22.34437 14.15179 0.79617  1.000 24.97531 ? 69  ILE A CG2 1 
ATOM   491 C CD1 . ILE A 1 71 ? -24.15942 16.89580 1.21072  1.000 35.85813 ? 69  ILE A CD1 1 
ATOM   492 N N   . GLY A 1 72 ? -19.78261 17.78074 0.59423  1.000 26.49588 ? 70  GLY A N   1 
ATOM   493 C CA  . GLY A 1 72 ? -19.55499 19.21793 0.49569  1.000 31.53877 ? 70  GLY A CA  1 
ATOM   494 C C   . GLY A 1 72 ? -18.36845 19.54011 -0.39408 1.000 38.20702 ? 70  GLY A C   1 
ATOM   495 O O   . GLY A 1 72 ? -18.24433 20.71260 -0.82826 1.000 33.54744 ? 70  GLY A O   1 
ATOM   496 O OXT . GLY A 1 72 ? -17.55494 18.62497 -0.71042 1.000 30.61255 ? 70  GLY A OXT 1 
HETATM 497 O O   . HOH B 2 .  ? -4.00350  3.01425  0.68415  1.000 31.89194 ? 101 HOH A O   1 
HETATM 498 O O   . HOH B 2 .  ? -12.15254 2.48140  5.29740  1.000 33.44661 ? 102 HOH A O   1 
HETATM 499 O O   . HOH B 2 .  ? -19.93223 2.75778  6.74590  1.000 31.56912 ? 103 HOH A O   1 
HETATM 500 O O   . HOH B 2 .  ? -22.90720 3.28902  -5.54010 1.000 37.02830 ? 104 HOH A O   1 
HETATM 501 O O   . HOH B 2 .  ? -22.62903 6.63943  10.82397 1.000 29.71924 ? 105 HOH A O   1 
HETATM 502 O O   . HOH B 2 .  ? -7.00920  11.35770 -4.41989 1.000 37.12793 ? 106 HOH A O   1 
HETATM 503 O O   . HOH B 2 .  ? -21.47219 7.15892  -5.35160 1.000 25.73131 ? 107 HOH A O   1 
HETATM 504 O O   . HOH B 2 .  ? -16.66248 16.97312 1.20680  1.000 22.81568 ? 108 HOH A O   1 
HETATM 505 O O   . HOH B 2 .  ? -14.51041 6.23055  13.61105 1.000 29.94701 ? 109 HOH A O   1 
HETATM 506 O O   . HOH B 2 .  ? -15.48297 15.69118 4.08929  1.000 20.76803 ? 110 HOH A O   1 
HETATM 507 O O   . HOH B 2 .  ? -16.51851 16.72688 8.93241  1.000 22.65440 ? 111 HOH A O   1 
HETATM 508 O O   . HOH B 2 .  ? -4.27049  15.91365 -1.31777 1.000 30.58221 ? 112 HOH A O   1 
HETATM 509 O O   . HOH B 2 .  ? -13.88717 15.82268 6.49679  1.000 21.93893 ? 113 HOH A O   1 
HETATM 510 O O   . HOH B 2 .  ? -14.12290 -0.01438 -0.00303 0.50  43.94624 ? 114 HOH A O   1 
HETATM 511 O O   . HOH B 2 .  ? -13.85496 8.99563  -7.05033 1.000 45.98526 ? 115 HOH A O   1 
HETATM 512 O O   . HOH B 2 .  ? -12.60889 13.23445 5.90196  1.000 22.11963 ? 116 HOH A O   1 
HETATM 513 O O   . HOH B 2 .  ? -27.85562 15.98692 6.41758  1.000 34.14572 ? 117 HOH A O   1 
HETATM 514 O O   . HOH B 2 .  ? -7.39310  8.87597  12.49166 1.000 34.76047 ? 118 HOH A O   1 
HETATM 515 O O   . HOH B 2 .  ? -9.47507  9.78373  -4.45278 1.000 32.83236 ? 119 HOH A O   1 
HETATM 516 O O   . HOH B 2 .  ? -10.81450 4.31002  -3.43410 1.000 29.48271 ? 120 HOH A O   1 
HETATM 517 O O   . HOH B 2 .  ? -16.10243 1.93153  12.69622 1.000 33.67343 ? 121 HOH A O   1 
HETATM 518 O O   . HOH B 2 .  ? -8.68431  0.36466  7.19248  1.000 35.68611 ? 122 HOH A O   1 
HETATM 519 O O   . HOH B 2 .  ? -4.60080  9.69835  -3.79845 1.000 44.09256 ? 123 HOH A O   1 
HETATM 520 O O   . HOH B 2 .  ? -8.38101  19.38457 6.37927  1.000 38.72810 ? 124 HOH A O   1 
HETATM 521 O O   . HOH B 2 .  ? -13.93880 15.38803 12.22136 1.000 25.05104 ? 125 HOH A O   1 
HETATM 522 O O   . HOH B 2 .  ? -26.56537 12.87548 -0.72821 1.000 29.18118 ? 126 HOH A O   1 
HETATM 523 O O   . HOH B 2 .  ? -25.93670 10.80454 7.40626  1.000 37.97818 ? 127 HOH A O   1 
HETATM 524 O O   . HOH B 2 .  ? -6.73269  3.95370  13.48870 1.000 40.05601 ? 128 HOH A O   1 
HETATM 525 O O   . HOH B 2 .  ? -0.12252  9.24111  0.69857  1.000 43.78363 ? 129 HOH A O   1 
HETATM 526 O O   . HOH B 2 .  ? -17.57851 18.27246 4.23120  1.000 29.28210 ? 130 HOH A O   1 
HETATM 527 O O   . HOH B 2 .  ? -14.76761 18.94008 2.33517  1.000 37.13014 ? 131 HOH A O   1 
HETATM 528 O O   . HOH B 2 .  ? -16.64434 2.67722  -5.28705 1.000 32.87973 ? 132 HOH A O   1 
HETATM 529 O O   . HOH B 2 .  ? -27.76979 6.15447  -2.41769 1.000 36.21808 ? 133 HOH A O   1 
HETATM 530 O O   . HOH B 2 .  ? -23.75023 20.51307 -5.94615 1.000 35.29995 ? 134 HOH A O   1 
HETATM 531 O O   . HOH B 2 .  ? -3.55690  11.81671 -2.13204 1.000 37.80047 ? 135 HOH A O   1 
HETATM 532 O O   . HOH B 2 .  ? -1.66634  11.09375 1.69019  1.000 45.50684 ? 136 HOH A O   1 
HETATM 533 O O   . HOH B 2 .  ? -19.03399 3.34023  -6.79275 1.000 36.22808 ? 137 HOH A O   1 
HETATM 534 O O   . HOH B 2 .  ? -16.52435 2.49263  -8.02615 1.000 40.46642 ? 138 HOH A O   1 
HETATM 535 O O   . HOH B 2 .  ? -13.60233 2.54267  -5.18058 1.000 42.59661 ? 139 HOH A O   1 
HETATM 536 O O   . HOH B 2 .  ? -14.89509 18.74324 9.38040  1.000 38.68438 ? 140 HOH A O   1 
HETATM 537 O O   . HOH B 2 .  ? -18.32419 0.71444  6.98409  1.000 33.01769 ? 141 HOH A O   1 
HETATM 538 O O   . HOH B 2 .  ? -5.38103  0.41054  -1.19084 1.000 40.03687 ? 142 HOH A O   1 
HETATM 539 O O   . HOH B 2 .  ? -23.19531 7.41181  13.42023 1.000 39.61460 ? 143 HOH A O   1 
HETATM 540 O O   . HOH B 2 .  ? -14.50207 20.48373 4.67146  1.000 38.64867 ? 144 HOH A O   1 
# 
loop_
_atom_site_anisotrop.id 
_atom_site_anisotrop.type_symbol 
_atom_site_anisotrop.pdbx_label_atom_id 
_atom_site_anisotrop.pdbx_label_alt_id 
_atom_site_anisotrop.pdbx_label_comp_id 
_atom_site_anisotrop.pdbx_label_asym_id 
_atom_site_anisotrop.pdbx_label_seq_id 
_atom_site_anisotrop.pdbx_PDB_ins_code 
_atom_site_anisotrop.U[1][1] 
_atom_site_anisotrop.U[2][2] 
_atom_site_anisotrop.U[3][3] 
_atom_site_anisotrop.U[1][2] 
_atom_site_anisotrop.U[1][3] 
_atom_site_anisotrop.U[2][3] 
_atom_site_anisotrop.pdbx_auth_seq_id 
_atom_site_anisotrop.pdbx_auth_comp_id 
_atom_site_anisotrop.pdbx_auth_asym_id 
_atom_site_anisotrop.pdbx_auth_atom_id 
1   N N   . PRO A 8  ? 0.61960 0.96095 0.64007 0.14306  0.02987  0.02193  6   PRO A N   
2   C CA  . PRO A 8  ? 0.62642 0.90588 0.62179 0.15748  0.02862  0.01696  6   PRO A CA  
3   C C   . PRO A 8  ? 0.56211 0.80935 0.56051 0.14126  0.02746  0.01607  6   PRO A C   
4   O O   . PRO A 8  ? 0.48410 0.74044 0.49368 0.12464  0.03142  0.01810  6   PRO A O   
5   C CB  . PRO A 8  ? 0.65729 0.92155 0.63544 0.16962  0.03458  0.01437  6   PRO A CB  
6   C CG  . PRO A 8  ? 0.60001 0.92182 0.59189 0.17113  0.03843  0.01733  6   PRO A CG  
7   C CD  . PRO A 8  ? 0.60133 0.96725 0.62125 0.14593  0.03706  0.02309  6   PRO A CD  
8   N N   . VAL A 9  ? 0.57090 0.78176 0.55846 0.14573  0.02245  0.01345  7   VAL A N   
9   C CA  . VAL A 9  ? 0.51118 0.69681 0.50375 0.13166  0.02114  0.01176  7   VAL A CA  
10  C C   . VAL A 9  ? 0.46294 0.60256 0.43741 0.13114  0.02502  0.00809  7   VAL A C   
11  O O   . VAL A 9  ? 0.48078 0.59440 0.43306 0.14463  0.02646  0.00572  7   VAL A O   
12  C CB  . VAL A 9  ? 0.49331 0.65796 0.47903 0.13349  0.01427  0.01049  7   VAL A CB  
13  C CG1 . VAL A 9  ? 0.58580 0.70546 0.54074 0.15134  0.01404  0.00856  7   VAL A CG1 
14  C CG2 . VAL A 9  ? 0.50525 0.64329 0.49531 0.10742  0.01060  0.00808  7   VAL A CG2 
15  N N   . LYS A 10 ? 0.40547 0.52956 0.38652 0.10819  0.02330  0.00820  8   LYS A N   
16  C CA  . LYS A 10 ? 0.38488 0.47027 0.35140 0.10531  0.02475  0.00494  8   LYS A CA  
17  C C   . LYS A 10 ? 0.39739 0.43859 0.34505 0.11244  0.02288  -0.00019 8   LYS A C   
18  O O   . LYS A 10 ? 0.34758 0.37978 0.29862 0.10621  0.01923  -0.00090 8   LYS A O   
19  C CB  . LYS A 10 ? 0.38520 0.46480 0.36411 0.08171  0.02108  0.00665  8   LYS A CB  
20  C CG  . LYS A 10 ? 0.39661 0.45079 0.36463 0.07824  0.02142  0.00527  8   LYS A CG  
21  C CD  . LYS A 10 ? 0.39987 0.45385 0.38047 0.05851  0.01672  0.00893  8   LYS A CD  
22  C CE  . LYS A 10 ? 0.34256 0.36922 0.31364 0.05539  0.01404  0.00727  8   LYS A CE  
23  N NZ  . LYS A 10 ? 0.33477 0.35772 0.31666 0.03925  0.00789  0.01147  8   LYS A NZ  
24  N N   . ASN A 11 ? 0.35684 0.36968 0.28182 0.12427  0.02551  -0.00389 9   ASN A N   
25  C CA  . ASN A 11 ? 0.35737 0.32566 0.26307 0.12266  0.02261  -0.00725 9   ASN A CA  
26  C C   . ASN A 11 ? 0.35723 0.29336 0.25019 0.11395  0.02201  -0.01184 9   ASN A C   
27  O O   . ASN A 11 ? 0.34169 0.24379 0.21643 0.11043  0.01982  -0.01396 9   ASN A O   
28  C CB  . ASN A 11 ? 0.49411 0.44908 0.37928 0.13647  0.02102  -0.00565 9   ASN A CB  
29  C CG  . ASN A 11 ? 0.54788 0.51334 0.42380 0.15020  0.02299  -0.00560 9   ASN A CG  
30  O OD1 . ASN A 11 ? 0.51962 0.48859 0.39560 0.14802  0.02577  -0.00772 9   ASN A OD1 
31  N ND2 . ASN A 11 ? 0.56085 0.53227 0.42667 0.16649  0.02165  -0.00352 9   ASN A ND2 
32  N N   . SER A 12 ? 0.30276 0.25084 0.20509 0.10639  0.02238  -0.01201 10  SER A N   
33  C CA  . SER A 12 ? 0.29682 0.21857 0.19020 0.09564  0.01920  -0.01616 10  SER A CA  
34  C C   . SER A 12 ? 0.26560 0.20706 0.17957 0.08155  0.01596  -0.01281 10  SER A C   
35  O O   . SER A 12 ? 0.27626 0.24647 0.20259 0.08129  0.01775  -0.00726 10  SER A O   
36  C CB  . SER A 12 ? 0.38832 0.28757 0.25286 0.10642  0.02089  -0.02086 10  SER A CB  
37  O OG  . SER A 12 ? 0.43553 0.36100 0.29997 0.11520  0.02526  -0.01876 10  SER A OG  
38  N N   . TRP A 13 ? 0.27170 0.19795 0.18862 0.06940  0.01055  -0.01569 11  TRP A N   
39  C CA  . TRP A 13 ? 0.25370 0.19285 0.19037 0.05795  0.00527  -0.01246 11  TRP A CA  
40  C C   . TRP A 13 ? 0.26235 0.18991 0.19027 0.05321  -0.00042 -0.01419 11  TRP A C   
41  O O   . TRP A 13 ? 0.24977 0.17278 0.18799 0.04503  -0.00671 -0.01689 11  TRP A O   
42  C CB  . TRP A 13 ? 0.25124 0.19175 0.20720 0.05002  0.00271  -0.01463 11  TRP A CB  
43  C CG  . TRP A 13 ? 0.22949 0.18490 0.19502 0.05200  0.00601  -0.01229 11  TRP A CG  
44  C CD1 . TRP A 13 ? 0.27431 0.24561 0.25512 0.04642  0.00394  -0.00854 11  TRP A CD1 
45  C CD2 . TRP A 13 ? 0.21552 0.16944 0.17253 0.05966  0.01049  -0.01318 11  TRP A CD2 
46  N NE1 . TRP A 13 ? 0.26497 0.24909 0.24909 0.04887  0.00676  -0.00791 11  TRP A NE1 
47  C CE2 . TRP A 13 ? 0.28870 0.26354 0.25902 0.05817  0.01052  -0.01035 11  TRP A CE2 
48  C CE3 . TRP A 13 ? 0.27059 0.20355 0.20698 0.06713  0.01327  -0.01575 11  TRP A CE3 
49  C CZ2 . TRP A 13 ? 0.26169 0.24296 0.22766 0.06527  0.01274  -0.00977 11  TRP A CZ2 
50  C CZ3 . TRP A 13 ? 0.24559 0.17976 0.17548 0.07545  0.01575  -0.01418 11  TRP A CZ3 
51  C CH2 . TRP A 13 ? 0.25125 0.21255 0.19713 0.07519  0.01522  -0.01110 11  TRP A CH2 
52  N N   . PRO A 14 ? 0.31019 0.23627 0.21888 0.05899  0.00142  -0.01313 12  PRO A N   
53  C CA  . PRO A 14 ? 0.32051 0.23558 0.21760 0.05370  -0.00566 -0.01492 12  PRO A CA  
54  C C   . PRO A 14 ? 0.29827 0.22258 0.21298 0.04474  -0.01439 -0.00944 12  PRO A C   
55  O O   . PRO A 14 ? 0.31009 0.22761 0.22503 0.03936  -0.02338 -0.01217 12  PRO A O   
56  C CB  . PRO A 14 ? 0.35130 0.26859 0.22398 0.06279  -0.00024 -0.01384 12  PRO A CB  
57  C CG  . PRO A 14 ? 0.32444 0.26678 0.20660 0.06991  0.00869  -0.00800 12  PRO A CG  
58  C CD  . PRO A 14 ? 0.29443 0.23402 0.19196 0.07091  0.00972  -0.01046 12  PRO A CD  
59  N N   . GLU A 15 ? 0.32676 0.26524 0.25625 0.04291  -0.01327 -0.00205 13  GLU A N   
60  C CA  . GLU A 15 ? 0.29211 0.23122 0.23354 0.03651  -0.02239 0.00382  13  GLU A CA  
61  C C   . GLU A 15 ? 0.27074 0.20642 0.23278 0.03477  -0.02874 -0.00196 13  GLU A C   
62  O O   . GLU A 15 ? 0.33320 0.26636 0.30364 0.03359  -0.03816 0.00100  13  GLU A O   
63  C CB  . GLU A 15 ? 0.32549 0.27494 0.27329 0.03236  -0.01955 0.01297  13  GLU A CB  
64  C CG  . GLU A 15 ? 0.32308 0.27842 0.28903 0.03160  -0.01594 0.00971  13  GLU A CG  
65  C CD  . GLU A 15 ? 0.36185 0.33072 0.32396 0.03769  -0.00549 0.00719  13  GLU A CD  
66  O OE1 . GLU A 15 ? 0.36683 0.33722 0.31246 0.04518  -0.00036 0.00576  13  GLU A OE1 
67  O OE2 . GLU A 15 ? 0.37347 0.35045 0.34755 0.03664  -0.00312 0.00597  13  GLU A OE2 
68  N N   . LEU A 16 ? 0.23149 0.16696 0.19969 0.03549  -0.02407 -0.00999 14  LEU A N   
69  C CA  . LEU A 16 ? 0.28009 0.21887 0.26815 0.03335  -0.02811 -0.01629 14  LEU A CA  
70  C C   . LEU A 16 ? 0.27697 0.21546 0.26353 0.02955  -0.03342 -0.02238 14  LEU A C   
71  O O   . LEU A 16 ? 0.26159 0.21089 0.26704 0.02747  -0.03695 -0.02776 14  LEU A O   
72  C CB  . LEU A 16 ? 0.26431 0.20616 0.26009 0.03318  -0.01987 -0.02068 14  LEU A CB  
73  C CG  . LEU A 16 ? 0.25525 0.20129 0.25530 0.03461  -0.01668 -0.01585 14  LEU A CG  
74  C CD1 . LEU A 16 ? 0.23533 0.18510 0.24009 0.03465  -0.00985 -0.02050 14  LEU A CD1 
75  C CD2 . LEU A 16 ? 0.27029 0.21458 0.28144 0.03370  -0.02456 -0.01256 14  LEU A CD2 
76  N N   . VAL A 17 ? 0.28528 0.21405 0.24975 0.02810  -0.03437 -0.02249 15  VAL A N   
77  C CA  . VAL A 17 ? 0.24678 0.17578 0.20893 0.02119  -0.04178 -0.02835 15  VAL A CA  
78  C C   . VAL A 17 ? 0.32635 0.26986 0.30520 0.02280  -0.05443 -0.02590 15  VAL A C   
79  O O   . VAL A 17 ? 0.31837 0.25905 0.29279 0.02839  -0.05896 -0.01777 15  VAL A O   
80  C CB  . VAL A 17 ? 0.30626 0.21736 0.23638 0.01979  -0.04193 -0.02993 15  VAL A CB  
81  C CG1 . VAL A 17 ? 0.34467 0.25772 0.27281 0.00943  -0.05246 -0.03607 15  VAL A CG1 
82  C CG2 . VAL A 17 ? 0.30583 0.19714 0.21546 0.02231  -0.03073 -0.03324 15  VAL A CG2 
83  N N   . GLY A 18 ? 0.30164 0.26196 0.29964 0.01813  -0.06033 -0.03226 16  GLY A N   
84  C CA  . GLY A 18 ? 0.33881 0.31675 0.35570 0.02377  -0.07347 -0.03088 16  GLY A CA  
85  C C   . GLY A 18 ? 0.29588 0.28327 0.33772 0.03376  -0.07264 -0.03084 16  GLY A C   
86  O O   . GLY A 18 ? 0.33844 0.33837 0.39628 0.04265  -0.08388 -0.03041 16  GLY A O   
87  N N   . THR A 19 ? 0.25633 0.23703 0.30020 0.03403  -0.06082 -0.03190 17  THR A N   
88  C CA  . THR A 19 ? 0.26153 0.24774 0.32505 0.04254  -0.05921 -0.03435 17  THR A CA  
89  C C   . THR A 19 ? 0.27400 0.28314 0.35715 0.03904  -0.05230 -0.04487 17  THR A C   
90  O O   . THR A 19 ? 0.26517 0.28108 0.34384 0.02710  -0.04753 -0.04837 17  THR A O   
91  C CB  . THR A 19 ? 0.33768 0.30459 0.39003 0.04332  -0.05165 -0.02914 17  THR A CB  
92  O OG1 . THR A 19 ? 0.33331 0.29985 0.37923 0.03653  -0.03926 -0.03230 17  THR A OG1 
93  C CG2 . THR A 19 ? 0.34298 0.29276 0.37439 0.04281  -0.05619 -0.01783 17  THR A CG2 
94  N N   . ASN A 20 ? 0.21415 0.23347 0.31653 0.04890  -0.05156 -0.05014 18  ASN A N   
95  C CA  . ASN A 20 ? 0.20992 0.25379 0.32913 0.04535  -0.04218 -0.06015 18  ASN A CA  
96  C C   . ASN A 20 ? 0.21278 0.24358 0.31594 0.03455  -0.02868 -0.05962 18  ASN A C   
97  O O   . ASN A 20 ? 0.18647 0.19599 0.27673 0.03729  -0.02567 -0.05525 18  ASN A O   
98  C CB  . ASN A 20 ? 0.25591 0.31126 0.39533 0.06130  -0.04328 -0.06751 18  ASN A CB  
99  C CG  . ASN A 20 ? 0.22028 0.30253 0.37404 0.05773  -0.03094 -0.07808 18  ASN A CG  
100 O OD1 . ASN A 20 ? 0.20763 0.27819 0.35172 0.05467  -0.02094 -0.07974 18  ASN A OD1 
101 N ND2 . ASN A 20 ? 0.27542 0.39736 0.45196 0.05702  -0.03162 -0.08502 18  ASN A ND2 
102 N N   . GLY A 21 ? 0.20164 0.24614 0.30506 0.02145  -0.02110 -0.06364 19  GLY A N   
103 C CA  . GLY A 21 ? 0.23322 0.25907 0.31550 0.01229  -0.01057 -0.06099 19  GLY A CA  
104 C C   . GLY A 21 ? 0.21258 0.23953 0.29755 0.01713  -0.00222 -0.06424 19  GLY A C   
105 O O   . GLY A 21 ? 0.21524 0.22313 0.28200 0.01584  0.00292  -0.05997 19  GLY A O   
106 N N   . ASP A 22 ? 0.19885 0.25026 0.30571 0.02362  -0.00079 -0.07280 20  ASP A N   
107 C CA  . ASP A 22 ? 0.23317 0.28346 0.33894 0.02850  0.00674  -0.07763 20  ASP A CA  
108 C C   . ASP A 22 ? 0.19335 0.21903 0.29165 0.03861  0.00073  -0.07413 20  ASP A C   
109 O O   . ASP A 22 ? 0.20393 0.21681 0.28889 0.03685  0.00530  -0.07291 20  ASP A O   
110 C CB  . ASP A 22 ? 0.25271 0.33580 0.38170 0.03485  0.01062  -0.08942 20  ASP A CB  
111 C CG  . ASP A 22 ? 0.36094 0.47514 0.49915 0.02014  0.01700  -0.09189 20  ASP A CG  
112 O OD1 . ASP A 22 ? 0.30468 0.41202 0.42516 0.00447  0.02638  -0.08848 20  ASP A OD1 
113 O OD2 . ASP A 22 ? 0.35534 0.49817 0.51578 0.02275  0.01131  -0.09569 20  ASP A OD2 
114 N N   . ILE A 23 ? 0.18710 0.20570 0.29179 0.04733  -0.01027 -0.07142 21  ILE A N   
115 C CA  . ILE A 23 ? 0.19431 0.18622 0.28742 0.05127  -0.01595 -0.06531 21  ILE A CA  
116 C C   . ILE A 23 ? 0.22526 0.20436 0.29936 0.04211  -0.01344 -0.05527 21  ILE A C   
117 O O   . ILE A 23 ? 0.20642 0.17482 0.27059 0.04008  -0.01158 -0.05233 21  ILE A O   
118 C CB  . ILE A 23 ? 0.21165 0.19415 0.31048 0.06103  -0.02870 -0.06215 21  ILE A CB  
119 C CG1 . ILE A 23 ? 0.18411 0.18022 0.30245 0.07570  -0.03176 -0.07353 21  ILE A CG1 
120 C CG2 . ILE A 23 ? 0.23764 0.19104 0.32094 0.05944  -0.03356 -0.05399 21  ILE A CG2 
121 C CD1 . ILE A 23 ? 0.24296 0.23087 0.36416 0.08691  -0.04591 -0.06855 21  ILE A CD1 
122 N N   . ALA A 24 ? 0.19173 0.17344 0.25988 0.03677  -0.01327 -0.05097 22  ALA A N   
123 C CA  . ALA A 24 ? 0.22550 0.19486 0.27418 0.03243  -0.01051 -0.04294 22  ALA A CA  
124 C C   . ALA A 24 ? 0.23468 0.20301 0.27382 0.02942  -0.00169 -0.04381 22  ALA A C   
125 O O   . ALA A 24 ? 0.21301 0.17537 0.24122 0.03052  -0.00038 -0.03825 22  ALA A O   
126 C CB  . ALA A 24 ? 0.22491 0.19197 0.26464 0.02831  -0.01219 -0.04066 22  ALA A CB  
127 N N   . ALA A 25 ? 0.22328 0.20073 0.26654 0.02560  0.00427  -0.05037 23  ALA A N   
128 C CA  . ALA A 25 ? 0.22996 0.20427 0.26019 0.02267  0.01177  -0.05002 23  ALA A CA  
129 C C   . ALA A 25 ? 0.21066 0.18531 0.24224 0.02685  0.01076  -0.05091 23  ALA A C   
130 O O   . ALA A 25 ? 0.22606 0.19664 0.24486 0.02717  0.01224  -0.04621 23  ALA A O   
131 C CB  . ALA A 25 ? 0.23329 0.21893 0.26616 0.01521  0.01902  -0.05622 23  ALA A CB  
132 N N   . GLY A 26 ? 0.18805 0.16648 0.23373 0.03056  0.00700  -0.05710 24  GLY A N   
133 C CA  . GLY A 26 ? 0.24040 0.21312 0.28413 0.03176  0.00410  -0.05856 24  GLY A CA  
134 C C   . GLY A 26 ? 0.25220 0.21811 0.28934 0.02966  -0.00096 -0.04866 24  GLY A C   
135 O O   . GLY A 26 ? 0.22109 0.18941 0.25111 0.02643  -0.00083 -0.04645 24  GLY A O   
136 N N   . ILE A 27 ? 0.22332 0.18471 0.26272 0.03076  -0.00550 -0.04255 25  ILE A N   
137 C CA  . ILE A 27 ? 0.19094 0.15106 0.22389 0.02776  -0.00846 -0.03267 25  ILE A CA  
138 C C   . ILE A 27 ? 0.24460 0.21471 0.26712 0.02860  -0.00282 -0.02787 25  ILE A C   
139 O O   . ILE A 27 ? 0.20978 0.18959 0.22973 0.02618  -0.00310 -0.02338 25  ILE A O   
140 C CB  . ILE A 27 ? 0.19903 0.15297 0.23234 0.02922  -0.01333 -0.02717 25  ILE A CB  
141 C CG1 . ILE A 27 ? 0.23270 0.17343 0.27382 0.03073  -0.02146 -0.02993 25  ILE A CG1 
142 C CG2 . ILE A 27 ? 0.21132 0.16957 0.23547 0.02599  -0.01314 -0.01683 25  ILE A CG2 
143 C CD1 . ILE A 27 ? 0.27122 0.20747 0.31461 0.03538  -0.02769 -0.02716 25  ILE A CD1 
144 N N   . ILE A 28 ? 0.19352 0.16109 0.20924 0.03221  0.00142  -0.02862 26  ILE A N   
145 C CA  . ILE A 28 ? 0.19467 0.16376 0.19603 0.03692  0.00589  -0.02456 26  ILE A CA  
146 C C   . ILE A 28 ? 0.20093 0.17870 0.19955 0.03723  0.00739  -0.02509 26  ILE A C   
147 O O   . ILE A 28 ? 0.20986 0.19914 0.20379 0.04174  0.00730  -0.01986 26  ILE A O   
148 C CB  . ILE A 28 ? 0.18919 0.14460 0.17974 0.03765  0.00917  -0.02678 26  ILE A CB  
149 C CG1 . ILE A 28 ? 0.21066 0.15967 0.19986 0.03780  0.00613  -0.02545 26  ILE A CG1 
150 C CG2 . ILE A 28 ? 0.22271 0.16975 0.19262 0.04450  0.01312  -0.02324 26  ILE A CG2 
151 C CD1 . ILE A 28 ? 0.23704 0.17273 0.21799 0.03304  0.00728  -0.02945 26  ILE A CD1 
152 N N   . GLN A 29 ? 0.19263 0.16853 0.19397 0.03318  0.00868  -0.03180 27  GLN A N   
153 C CA  . GLN A 29 ? 0.23476 0.21767 0.22966 0.03273  0.00947  -0.03301 27  GLN A CA  
154 C C   . GLN A 29 ? 0.25447 0.24976 0.25714 0.02844  0.00386  -0.03266 27  GLN A C   
155 O O   . GLN A 29 ? 0.27143 0.27802 0.26850 0.02811  0.00235  -0.03181 27  GLN A O   
156 C CB  . GLN A 29 ? 0.24395 0.22292 0.23762 0.02869  0.01354  -0.04130 27  GLN A CB  
157 C CG  . GLN A 29 ? 0.22041 0.18956 0.20206 0.02809  0.01962  -0.03999 27  GLN A CG  
158 C CD  . GLN A 29 ? 0.31614 0.28817 0.29623 0.02197  0.02566  -0.04720 27  GLN A CD  
159 O OE1 . GLN A 29 ? 0.25101 0.21526 0.21617 0.01766  0.03111  -0.04463 27  GLN A OE1 
160 N NE2 . GLN A 29 ? 0.35390 0.33564 0.34670 0.02117  0.02520  -0.05659 27  GLN A NE2 
161 N N   . THR A 30 ? 0.20609 0.19852 0.21932 0.02396  -0.00020 -0.03237 28  THR A N   
162 C CA  . THR A 30 ? 0.23711 0.23743 0.25491 0.01551  -0.00600 -0.03045 28  THR A CA  
163 C C   . THR A 30 ? 0.24545 0.26567 0.26408 0.01597  -0.00609 -0.02020 28  THR A C   
164 O O   . THR A 30 ? 0.26436 0.30588 0.28474 0.01098  -0.00874 -0.01730 28  THR A O   
165 C CB  . THR A 30 ? 0.24162 0.22350 0.26571 0.01000  -0.01092 -0.03359 28  THR A CB  
166 O OG1 . THR A 30 ? 0.30857 0.27759 0.33348 0.01364  -0.00978 -0.04462 28  THR A OG1 
167 C CG2 . THR A 30 ? 0.23956 0.22147 0.26375 -0.00281 -0.01760 -0.03175 28  THR A CG2 
168 N N   . GLU A 31 ? 0.20540 0.22291 0.22247 0.02240  -0.00302 -0.01539 29  GLU A N   
169 C CA  . GLU A 31 ? 0.20953 0.24840 0.22649 0.02504  -0.00130 -0.00694 29  GLU A CA  
170 C C   . GLU A 31 ? 0.31561 0.37328 0.32666 0.03736  0.00180  -0.00505 29  GLU A C   
171 O O   . GLU A 31 ? 0.29639 0.38470 0.31217 0.03906  0.00205  0.00038  29  GLU A O   
172 C CB  . GLU A 31 ? 0.31555 0.34306 0.32792 0.02976  0.00110  -0.00401 29  GLU A CB  
173 C CG  . GLU A 31 ? 0.31596 0.33260 0.33315 0.01841  -0.00370 -0.00155 29  GLU A CG  
174 C CD  . GLU A 31 ? 0.41886 0.42668 0.42963 0.02138  -0.00313 0.00258  29  GLU A CD  
175 O OE1 . GLU A 31 ? 0.35525 0.36351 0.35741 0.03184  0.00132  0.00177  29  GLU A OE1 
176 O OE2 . GLU A 31 ? 0.46408 0.46098 0.47535 0.01293  -0.00817 0.00672  29  GLU A OE2 
177 N N   . ASN A 32 ? 0.19665 0.23779 0.19678 0.04621  0.00396  -0.00883 30  ASN A N   
178 C CA  . ASN A 32 ? 0.22593 0.27475 0.21472 0.06039  0.00543  -0.00639 30  ASN A CA  
179 C C   . ASN A 32 ? 0.27474 0.31554 0.25757 0.05691  0.00352  -0.01047 30  ASN A C   
180 O O   . ASN A 32 ? 0.26977 0.28572 0.24401 0.05478  0.00624  -0.01460 30  ASN A O   
181 C CB  . ASN A 32 ? 0.24886 0.27582 0.22120 0.07372  0.00982  -0.00558 30  ASN A CB  
182 C CG  . ASN A 32 ? 0.33610 0.36350 0.29208 0.09184  0.01016  -0.00247 30  ASN A CG  
183 O OD1 . ASN A 32 ? 0.31077 0.34598 0.26412 0.09326  0.00702  -0.00154 30  ASN A OD1 
184 N ND2 . ASN A 32 ? 0.35215 0.36818 0.29394 0.10719  0.01316  -0.00118 30  ASN A ND2 
185 N N   . ALA A 33 ? 0.30405 0.36936 0.29141 0.05461  -0.00114 -0.00947 31  ALA A N   
186 C CA  . ALA A 33 ? 0.31385 0.37468 0.29390 0.04958  -0.00375 -0.01393 31  ALA A CA  
187 C C   . ALA A 33 ? 0.29282 0.33976 0.25129 0.06227  -0.00201 -0.01106 31  ALA A C   
188 O O   . ALA A 33 ? 0.37611 0.41866 0.32395 0.05844  -0.00343 -0.01371 31  ALA A O   
189 C CB  . ALA A 33 ? 0.33007 0.42282 0.31924 0.04192  -0.01119 -0.01366 31  ALA A CB  
190 N N   . ASN A 34 ? 0.30404 0.34138 0.25200 0.07727  0.00054  -0.00564 32  ASN A N   
191 C CA  . ASN A 34 ? 0.31541 0.33330 0.23770 0.08994  0.00045  -0.00129 32  ASN A CA  
192 C C   . ASN A 34 ? 0.34606 0.32276 0.25065 0.08783  0.00651  -0.00213 32  ASN A C   
193 O O   . ASN A 34 ? 0.39743 0.34824 0.27587 0.09853  0.00664  0.00293  32  ASN A O   
194 C CB  . ASN A 34 ? 0.36074 0.39653 0.27909 0.11168  -0.00314 0.00535  32  ASN A CB  
195 C CG  . ASN A 34 ? 0.46031 0.54307 0.39540 0.11135  -0.01036 0.00675  32  ASN A CG  
196 O OD1 . ASN A 34 ? 0.46572 0.55548 0.39733 0.10300  -0.01537 0.00545  32  ASN A OD1 
197 N ND2 . ASN A 34 ? 0.63603 0.75407 0.58911 0.11830  -0.01084 0.00888  32  ASN A ND2 
198 N N   . VAL A 35 ? 0.28212 0.25144 0.19913 0.07365  0.01058  -0.00814 33  VAL A N   
199 C CA  . VAL A 35 ? 0.26241 0.19976 0.16627 0.06847  0.01558  -0.00938 33  VAL A CA  
200 C C   . VAL A 35 ? 0.27255 0.20947 0.18459 0.05154  0.01948  -0.01609 33  VAL A C   
201 O O   . VAL A 35 ? 0.25564 0.21261 0.18699 0.04519  0.01834  -0.02181 33  VAL A O   
202 C CB  . VAL A 35 ? 0.30751 0.23745 0.21679 0.07121  0.01654  -0.01027 33  VAL A CB  
203 C CG1 . VAL A 35 ? 0.30117 0.23180 0.19949 0.09104  0.01463  -0.00518 33  VAL A CG1 
204 C CG2 . VAL A 35 ? 0.24398 0.19376 0.18093 0.06135  0.01580  -0.01516 33  VAL A CG2 
205 N N   . LYS A 36 ? 0.29697 0.21008 0.19198 0.04431  0.02420  -0.01558 34  LYS A N   
206 C CA  . LYS A 36 ? 0.27789 0.19431 0.18226 0.02865  0.02978  -0.02234 34  LYS A CA  
207 C C   . LYS A 36 ? 0.30318 0.21059 0.21488 0.02401  0.03026  -0.02430 34  LYS A C   
208 O O   . LYS A 36 ? 0.31878 0.19969 0.20976 0.02533  0.02995  -0.01965 34  LYS A O   
209 C CB  . LYS A 36 ? 0.33925 0.23932 0.21765 0.02012  0.03510  -0.01889 34  LYS A CB  
210 C CG  . LYS A 36 ? 0.43462 0.34163 0.31912 0.00267  0.04314  -0.02476 34  LYS A CG  
211 C CD  . LYS A 36 ? 0.42604 0.31026 0.27687 -0.00870 0.04889  -0.01761 34  LYS A CD  
212 C CE  . LYS A 36 ? 0.50645 0.34873 0.32775 -0.00678 0.04553  -0.00798 34  LYS A CE  
213 N NZ  . LYS A 36 ? 0.51208 0.32194 0.29422 -0.01989 0.04985  0.00114  34  LYS A NZ  
214 N N   . ALA A 37 ? 0.27805 0.20452 0.21586 0.01874  0.03022  -0.03154 35  ALA A N   
215 C CA  . ALA A 37 ? 0.27082 0.19480 0.21813 0.01371  0.02901  -0.03401 35  ALA A CA  
216 C C   . ALA A 37 ? 0.32385 0.25420 0.27490 -0.00132 0.03471  -0.03869 35  ALA A C   
217 O O   . ALA A 37 ? 0.32256 0.27214 0.28399 -0.00484 0.03933  -0.04401 35  ALA A O   
218 C CB  . ALA A 37 ? 0.26473 0.20573 0.23671 0.01901  0.02374  -0.03743 35  ALA A CB  
219 N N   . ILE A 38 ? 0.27325 0.18818 0.21351 -0.01106 0.03487  -0.03712 36  ILE A N   
220 C CA  . ILE A 38 ? 0.31167 0.23559 0.25421 -0.02966 0.04055  -0.04027 36  ILE A CA  
221 C C   . ILE A 38 ? 0.33607 0.27057 0.29572 -0.03579 0.03555  -0.04458 36  ILE A C   
222 O O   . ILE A 38 ? 0.33404 0.24353 0.27773 -0.03662 0.03035  -0.04162 36  ILE A O   
223 C CB  . ILE A 38 ? 0.37624 0.26666 0.28278 -0.04204 0.04439  -0.03298 36  ILE A CB  
224 C CG1 . ILE A 38 ? 0.50989 0.38298 0.39295 -0.03209 0.04606  -0.02629 36  ILE A CG1 
225 C CG2 . ILE A 38 ? 0.41449 0.32163 0.32526 -0.06619 0.05187  -0.03564 36  ILE A CG2 
226 C CD1 . ILE A 38 ? 0.60426 0.43420 0.44531 -0.04181 0.04784  -0.01715 36  ILE A CD1 
227 N N   . VAL A 39 ? 0.28185 0.25315 0.27163 -0.03942 0.03671  -0.05215 37  VAL A N   
228 C CA  . VAL A 39 ? 0.24943 0.23561 0.25590 -0.04585 0.03054  -0.05589 37  VAL A CA  
229 C C   . VAL A 39 ? 0.28675 0.26840 0.27985 -0.07020 0.03432  -0.05482 37  VAL A C   
230 O O   . VAL A 39 ? 0.27258 0.27080 0.26676 -0.08340 0.04377  -0.05585 37  VAL A O   
231 C CB  . VAL A 39 ? 0.25479 0.28337 0.29832 -0.03806 0.02925  -0.06433 37  VAL A CB  
232 C CG1 . VAL A 39 ? 0.23582 0.28494 0.29762 -0.04358 0.02141  -0.06769 37  VAL A CG1 
233 C CG2 . VAL A 39 ? 0.26935 0.29086 0.31864 -0.01726 0.02426  -0.06399 37  VAL A CG2 
234 N N   . VAL A 40 ? 0.28280 0.24160 0.26092 -0.07828 0.02723  -0.05296 38  VAL A N   
235 C CA  . VAL A 40 ? 0.35351 0.30141 0.31466 -0.10540 0.02909  -0.05188 38  VAL A CA  
236 C C   . VAL A 40 ? 0.37858 0.34150 0.35309 -0.11489 0.01906  -0.05675 38  VAL A C   
237 O O   . VAL A 40 ? 0.33326 0.28939 0.31039 -0.09973 0.00978  -0.05780 38  VAL A O   
238 C CB  . VAL A 40 ? 0.39222 0.27885 0.30534 -0.10885 0.02982  -0.04410 38  VAL A CB  
239 C CG1 . VAL A 40 ? 0.47313 0.34810 0.37182 -0.10078 0.03829  -0.03834 38  VAL A CG1 
240 C CG2 . VAL A 40 ? 0.47241 0.33077 0.37269 -0.08865 0.02162  -0.04340 38  VAL A CG2 
241 N N   . LYS A 41 ? 0.30409 0.28793 0.28458 -0.14219 0.02065  -0.05913 39  LYS A N   
242 C CA  . LYS A 41 ? 0.31014 0.31014 0.30139 -0.15491 0.00961  -0.06388 39  LYS A CA  
243 C C   . LYS A 41 ? 0.39996 0.33984 0.34916 -0.15929 0.00122  -0.06159 39  LYS A C   
244 O O   . LYS A 41 ? 0.41417 0.30472 0.32398 -0.17210 0.00513  -0.05698 39  LYS A O   
245 C CB  . LYS A 41 ? 0.35685 0.39565 0.36290 -0.18739 0.01355  -0.06666 39  LYS A CB  
246 C CG  . LYS A 41 ? 0.44414 0.50283 0.46076 -0.20416 0.00040  -0.07178 39  LYS A CG  
247 C CD  . LYS A 41 ? 0.41943 0.52340 0.47552 -0.17923 -0.00954 -0.07725 39  LYS A CD  
248 C CE  . LYS A 41 ? 0.44976 0.56492 0.50857 -0.19325 -0.02549 -0.08132 39  LYS A CE  
249 N NZ  . LYS A 41 ? 0.44953 0.59298 0.51586 -0.21751 -0.02340 -0.07959 39  LYS A NZ  
250 N N   . GLU A 42 ? 0.35961 0.30155 0.31399 -0.14881 -0.01065 -0.06509 40  GLU A N   
251 C CA  . GLU A 42 ? 0.45670 0.34334 0.36962 -0.15082 -0.01815 -0.06516 40  GLU A CA  
252 C C   . GLU A 42 ? 0.48709 0.34911 0.37402 -0.17978 -0.01903 -0.06427 40  GLU A C   
253 O O   . GLU A 42 ? 0.44090 0.34272 0.34986 -0.20124 -0.02016 -0.06577 40  GLU A O   
254 C CB  . GLU A 42 ? 0.50325 0.40490 0.42697 -0.13969 -0.03104 -0.06936 40  GLU A CB  
255 C CG  . GLU A 42 ? 0.46824 0.42432 0.42575 -0.15655 -0.03978 -0.07463 40  GLU A CG  
256 C CD  . GLU A 42 ? 0.61641 0.58286 0.57853 -0.14574 -0.05475 -0.07760 40  GLU A CD  
257 O OE1 . GLU A 42 ? 0.57169 0.50480 0.51159 -0.12527 -0.05622 -0.07526 40  GLU A OE1 
258 O OE2 . GLU A 42 ? 0.57021 0.58084 0.55759 -0.15801 -0.06506 -0.08192 40  GLU A OE2 
259 N N   . GLY A 43 ? 0.52911 0.33085 0.37194 -0.17324 -0.01782 -0.05946 41  GLY A N   
260 C CA  . GLY A 43 ? 0.58311 0.35567 0.39723 -0.19362 -0.01818 -0.05597 41  GLY A CA  
261 C C   . GLY A 43 ? 0.61749 0.37532 0.41646 -0.20581 -0.00764 -0.04817 41  GLY A C   
262 O O   . GLY A 43 ? 0.60332 0.33353 0.37431 -0.22479 -0.00794 -0.04441 41  GLY A O   
263 N N   . LEU A 44 ? 0.57197 0.34616 0.38590 -0.19690 0.00125  -0.04577 42  LEU A N   
264 C CA  . LEU A 44 ? 0.64813 0.40517 0.44260 -0.20682 0.01110  -0.03770 42  LEU A CA  
265 C C   . LEU A 44 ? 0.68290 0.36996 0.42479 -0.19697 0.00886  -0.03113 42  LEU A C   
266 O O   . LEU A 44 ? 0.71362 0.37336 0.44214 -0.16854 0.00615  -0.03117 42  LEU A O   
267 C CB  . LEU A 44 ? 0.63565 0.41603 0.45110 -0.19353 0.02012  -0.03726 42  LEU A CB  
268 C CG  . LEU A 44 ? 0.58901 0.35427 0.38461 -0.20008 0.03074  -0.02873 42  LEU A CG  
269 C CD1 . LEU A 44 ? 0.57184 0.38636 0.38969 -0.22889 0.03816  -0.02908 42  LEU A CD1 
270 C CD2 . LEU A 44 ? 0.60096 0.37348 0.40884 -0.17616 0.03604  -0.02901 42  LEU A CD2 
271 N N   . PRO A 45 ? 0.74321 0.40264 0.45483 -0.21832 0.00936  -0.02593 43  PRO A N   
272 C CA  . PRO A 45 ? 0.93066 0.52290 0.59083 -0.20692 0.00675  -0.02001 43  PRO A CA  
273 C C   . PRO A 45 ? 0.98753 0.56380 0.63719 -0.18342 0.01250  -0.01386 43  PRO A C   
274 O O   . PRO A 45 ? 0.88342 0.48241 0.54504 -0.19216 0.02077  -0.00984 43  PRO A O   
275 C CB  . PRO A 45 ? 0.92195 0.49585 0.55616 -0.23992 0.00721  -0.01540 43  PRO A CB  
276 C CG  . PRO A 45 ? 0.78284 0.41527 0.45599 -0.26683 0.00729  -0.02087 43  PRO A CG  
277 C CD  . PRO A 45 ? 0.75452 0.44517 0.47758 -0.25330 0.01163  -0.02572 43  PRO A CD  
278 N N   . ILE A 46 ? 1.04249 0.58457 0.67137 -0.15256 0.00823  -0.01358 44  ILE A N   
279 C CA  . ILE A 46 ? 1.07189 0.59870 0.68876 -0.12706 0.01150  -0.00781 44  ILE A CA  
280 C C   . ILE A 46 ? 1.17274 0.64177 0.74175 -0.11195 0.00594  -0.00426 44  ILE A C   
281 O O   . ILE A 46 ? 1.17530 0.61954 0.72630 -0.11070 -0.00037 -0.00838 44  ILE A O   
282 C CB  . ILE A 46 ? 1.05701 0.61443 0.70486 -0.09840 0.01228  -0.01170 44  ILE A CB  
283 C CG1 . ILE A 46 ? 1.08375 0.63429 0.72992 -0.08066 0.00540  -0.01783 44  ILE A CG1 
284 C CG2 . ILE A 46 ? 0.95688 0.56712 0.64917 -0.11191 0.01766  -0.01582 44  ILE A CG2 
285 C CD1 . ILE A 46 ? 0.96813 0.55113 0.64358 -0.05424 0.00603  -0.02124 44  ILE A CD1 
286 N N   . THR A 47 ? 1.23897 0.68619 0.78622 -0.09997 0.00786  0.00293  45  THR A N   
287 C CA  . THR A 47 ? 1.27058 0.66591 0.77443 -0.07999 0.00197  0.00547  45  THR A CA  
288 C C   . THR A 47 ? 1.30269 0.70955 0.81746 -0.04184 -0.00027 0.00165  45  THR A C   
289 O O   . THR A 47 ? 1.24435 0.69563 0.79794 -0.03333 0.00226  -0.00247 45  THR A O   
290 C CB  . THR A 47 ? 1.23517 0.60354 0.71100 -0.08088 0.00339  0.01446  45  THR A CB  
291 O OG1 . THR A 47 ? 1.24944 0.64877 0.74832 -0.06017 0.00741  0.01709  45  THR A OG1 
292 C CG2 . THR A 47 ? 1.16010 0.52853 0.63053 -0.12114 0.00762  0.01889  45  THR A CG2 
293 N N   . GLN A 48 ? 1.33186 0.69974 0.81173 -0.01883 -0.00507 0.00296  46  GLN A N   
294 C CA  . GLN A 48 ? 1.37874 0.75975 0.86610 0.01720  -0.00677 -0.00049 46  GLN A CA  
295 C C   . GLN A 48 ? 1.34778 0.74843 0.84467 0.04079  -0.00476 0.00437  46  GLN A C   
296 O O   . GLN A 48 ? 1.28861 0.69928 0.78710 0.07142  -0.00646 0.00261  46  GLN A O   
297 C CB  . GLN A 48 ? 1.27452 0.60633 0.72006 0.03067  -0.01310 -0.00342 46  GLN A CB  
298 C CG  . GLN A 48 ? 1.25883 0.57112 0.69400 0.00748  -0.01599 -0.00871 46  GLN A CG  
299 C CD  . GLN A 48 ? 1.40081 0.64856 0.78294 0.01161  -0.02270 -0.01009 46  GLN A CD  
300 O OE1 . GLN A 48 ? 1.47274 0.68956 0.82537 0.03506  -0.02539 -0.00749 46  GLN A OE1 
301 N NE2 . GLN A 48 ? 1.38312 0.60885 0.75150 -0.01115 -0.02614 -0.01456 46  GLN A NE2 
302 N N   . ASP A 49 ? 1.22712 0.63635 0.73085 0.02617  -0.00105 0.01034  47  ASP A N   
303 C CA  . ASP A 49 ? 1.08098 0.51465 0.59829 0.04524  0.00073  0.01492  47  ASP A CA  
304 C C   . ASP A 49 ? 0.91396 0.40265 0.47462 0.06244  0.00329  0.01077  47  ASP A C   
305 O O   . ASP A 49 ? 0.88923 0.40810 0.48077 0.04765  0.00711  0.00749  47  ASP A O   
306 C CB  . ASP A 49 ? 1.10134 0.53729 0.62020 0.02110  0.00531  0.02161  47  ASP A CB  
307 C CG  . ASP A 49 ? 1.12390 0.60069 0.68102 -0.00068 0.01200  0.01865  47  ASP A CG  
308 O OD1 . ASP A 49 ? 1.13991 0.62199 0.70785 -0.01478 0.01198  0.01251  47  ASP A OD1 
309 O OD2 . ASP A 49 ? 1.08913 0.59335 0.66525 -0.00236 0.01684  0.02223  47  ASP A OD2 
310 N N   . LEU A 50 ? 0.75464 0.25767 0.31769 0.09322  0.00089  0.01084  48  LEU A N   
311 C CA  . LEU A 50 ? 0.75398 0.31056 0.35571 0.10963  0.00287  0.00789  48  LEU A CA  
312 C C   . LEU A 50 ? 0.79506 0.37958 0.41521 0.11202  0.00483  0.01310  48  LEU A C   
313 O O   . LEU A 50 ? 0.75486 0.32905 0.35826 0.12480  0.00195  0.01828  48  LEU A O   
314 C CB  . LEU A 50 ? 0.78169 0.34424 0.37683 0.13909  -0.00024 0.00504  48  LEU A CB  
315 C CG  . LEU A 50 ? 0.76480 0.38096 0.39463 0.15562  0.00164  0.00171  48  LEU A CG  
316 C CD1 . LEU A 50 ? 0.83536 0.47674 0.49496 0.13869  0.00494  -0.00230 48  LEU A CD1 
317 C CD2 . LEU A 50 ? 0.77419 0.38148 0.38504 0.18034  -0.00094 -0.00136 48  LEU A CD2 
318 N N   . ASN A 51 ? 0.69911 0.31546 0.35116 0.09893  0.00909  0.01184  49  ASN A N   
319 C CA  . ASN A 51 ? 0.59584 0.24078 0.26650 0.10148  0.01079  0.01610  49  ASN A CA  
320 C C   . ASN A 51 ? 0.57162 0.26722 0.28134 0.11284  0.01151  0.01154  49  ASN A C   
321 O O   . ASN A 51 ? 0.53189 0.24294 0.26478 0.09964  0.01474  0.00652  49  ASN A O   
322 C CB  . ASN A 51 ? 0.60037 0.23454 0.26991 0.07415  0.01597  0.01910  49  ASN A CB  
323 C CG  . ASN A 51 ? 0.57631 0.24241 0.26079 0.07640  0.01728  0.02401  49  ASN A CG  
324 O OD1 . ASN A 51 ? 0.52185 0.22643 0.22946 0.09502  0.01424  0.02256  49  ASN A OD1 
325 N ND2 . ASN A 51 ? 0.62132 0.28642 0.29950 0.05315  0.02208  0.02703  49  ASN A ND2 
326 N N   . PHE A 52 ? 0.54533 0.26892 0.26307 0.13563  0.00835  0.01300  50  PHE A N   
327 C CA  . PHE A 52 ? 0.61087 0.38548 0.36417 0.14426  0.00892  0.00971  50  PHE A CA  
328 C C   . PHE A 52 ? 0.53724 0.34143 0.31835 0.13568  0.01062  0.00983  50  PHE A C   
329 O O   . PHE A 52 ? 0.53609 0.38055 0.34807 0.13691  0.01153  0.00623  50  PHE A O   
330 C CB  . PHE A 52 ? 0.60551 0.40604 0.35991 0.16825  0.00547  0.01137  50  PHE A CB  
331 C CG  . PHE A 52 ? 0.65392 0.42952 0.38329 0.18098  0.00429  0.00930  50  PHE A CG  
332 C CD1 . PHE A 52 ? 0.64167 0.41281 0.37227 0.17746  0.00640  0.00447  50  PHE A CD1 
333 C CD2 . PHE A 52 ? 0.70506 0.45898 0.40735 0.19732  0.00036  0.01212  50  PHE A CD2 
334 C CE1 . PHE A 52 ? 0.67535 0.42065 0.37921 0.19107  0.00479  0.00221  50  PHE A CE1 
335 C CE2 . PHE A 52 ? 0.70155 0.42898 0.37790 0.21141  -0.00124 0.00961  50  PHE A CE2 
336 C CZ  . PHE A 52 ? 0.69750 0.42074 0.37423 0.20852  0.00110  0.00447  50  PHE A CZ  
337 N N   . ASN A 53 ? 0.46606 0.25842 0.23869 0.12150  0.01131  0.01310  51  ASN A N   
338 C CA  . ASN A 53 ? 0.42036 0.25187 0.22308 0.10398  0.01327  0.00972  51  ASN A CA  
339 C C   . ASN A 53 ? 0.42031 0.24783 0.23499 0.07930  0.01894  0.00351  51  ASN A C   
340 O O   . ASN A 53 ? 0.36697 0.21768 0.19931 0.06555  0.02132  0.00003  51  ASN A O   
341 C CB  . ASN A 53 ? 0.46068 0.29450 0.25015 0.10244  0.01105  0.01513  51  ASN A CB  
342 C CG  . ASN A 53 ? 0.50708 0.35378 0.28873 0.12721  0.00347  0.02135  51  ASN A CG  
343 O OD1 . ASN A 53 ? 0.51256 0.32635 0.25986 0.14067  -0.00046 0.02931  51  ASN A OD1 
344 N ND2 . ASN A 53 ? 0.47404 0.36922 0.28672 0.13311  0.00059  0.01835  51  ASN A ND2 
345 N N   . ARG A 54 ? 0.41784 0.21838 0.22305 0.07461  0.02054  0.00119  52  ARG A N   
346 C CA  . ARG A 54 ? 0.41526 0.21479 0.23159 0.05162  0.02461  -0.00439 52  ARG A CA  
347 C C   . ARG A 54 ? 0.40678 0.21490 0.24006 0.05336  0.02314  -0.00999 52  ARG A C   
348 O O   . ARG A 54 ? 0.41226 0.20177 0.22996 0.06769  0.02081  -0.00934 52  ARG A O   
349 C CB  . ARG A 54 ? 0.50224 0.25707 0.28485 0.03742  0.02679  -0.00103 52  ARG A CB  
350 C CG  . ARG A 54 ? 0.50248 0.26155 0.29767 0.01291  0.03031  -0.00690 52  ARG A CG  
351 C CD  . ARG A 54 ? 0.53388 0.24817 0.29306 -0.00539 0.03219  -0.00253 52  ARG A CD  
352 N NE  . ARG A 54 ? 0.62720 0.29018 0.34935 0.00787  0.02696  0.00091  52  ARG A NE  
353 C CZ  . ARG A 54 ? 0.74989 0.36213 0.42927 0.00149  0.02593  0.00776  52  ARG A CZ  
354 N NH1 . ARG A 54 ? 0.73522 0.33615 0.39980 -0.02184 0.03093  0.01354  52  ARG A NH1 
355 N NH2 . ARG A 54 ? 0.73167 0.32236 0.39015 0.01821  0.01957  0.00793  52  ARG A NH2 
356 N N   . VAL A 55 ? 0.31665 0.15193 0.17938 0.04064  0.02421  -0.01570 53  VAL A N   
357 C CA  . VAL A 55 ? 0.34604 0.18485 0.21995 0.03908  0.02188  -0.01998 53  VAL A CA  
358 C C   . VAL A 55 ? 0.34693 0.18536 0.22818 0.01829  0.02310  -0.02462 53  VAL A C   
359 O O   . VAL A 55 ? 0.31526 0.18211 0.22213 0.01044  0.02457  -0.02829 53  VAL A O   
360 C CB  . VAL A 55 ? 0.30457 0.17802 0.20727 0.04564  0.01970  -0.02130 53  VAL A CB  
361 C CG1 . VAL A 55 ? 0.27297 0.14909 0.18509 0.04139  0.01672  -0.02475 53  VAL A CG1 
362 C CG2 . VAL A 55 ? 0.30179 0.18375 0.19956 0.06400  0.01882  -0.01661 53  VAL A CG2 
363 N N   . ARG A 56 ? 0.34115 0.14931 0.20058 0.00984  0.02187  -0.02542 54  ARG A N   
364 C CA  . ARG A 56 ? 0.35138 0.16771 0.22194 -0.01158 0.02167  -0.03026 54  ARG A CA  
365 C C   . ARG A 56 ? 0.33426 0.17650 0.23107 -0.00937 0.01639  -0.03511 54  ARG A C   
366 O O   . ARG A 56 ? 0.37030 0.20260 0.25893 0.00170  0.01230  -0.03499 54  ARG A O   
367 C CB  . ARG A 56 ? 0.38864 0.16294 0.22568 -0.02486 0.02036  -0.02981 54  ARG A CB  
368 C CG  . ARG A 56 ? 0.45367 0.19622 0.26015 -0.03095 0.02484  -0.02333 54  ARG A CG  
369 C CD  . ARG A 56 ? 0.53681 0.23416 0.30935 -0.04978 0.02258  -0.02328 54  ARG A CD  
370 N NE  . ARG A 56 ? 0.68177 0.34044 0.41880 -0.05872 0.02607  -0.01532 54  ARG A NE  
371 C CZ  . ARG A 56 ? 0.78622 0.40699 0.48868 -0.04393 0.02237  -0.00925 54  ARG A CZ  
372 N NH1 . ARG A 56 ? 0.73322 0.34880 0.43127 -0.02044 0.01685  -0.01116 54  ARG A NH1 
373 N NH2 . ARG A 56 ? 0.77527 0.36732 0.44767 -0.05280 0.02439  -0.00139 54  ARG A NH2 
374 N N   . VAL A 57 ? 0.27354 0.14935 0.20022 -0.01831 0.01649  -0.03926 55  VAL A N   
375 C CA  . VAL A 57 ? 0.25360 0.15355 0.20497 -0.01529 0.00999  -0.04284 55  VAL A CA  
376 C C   . VAL A 57 ? 0.30089 0.20879 0.25760 -0.03349 0.00666  -0.04750 55  VAL A C   
377 O O   . VAL A 57 ? 0.27179 0.20634 0.24787 -0.04443 0.01005  -0.05098 55  VAL A O   
378 C CB  . VAL A 57 ? 0.24831 0.17945 0.22936 -0.00742 0.01071  -0.04463 55  VAL A CB  
379 C CG1 . VAL A 57 ? 0.27247 0.22281 0.27538 -0.00375 0.00235  -0.04719 55  VAL A CG1 
380 C CG2 . VAL A 57 ? 0.26710 0.19160 0.24151 0.00645  0.01286  -0.03997 55  VAL A CG2 
381 N N   . PHE A 58 ? 0.31475 0.20185 0.25326 -0.03758 0.00027  -0.04828 56  PHE A N   
382 C CA  . PHE A 58 ? 0.28363 0.17630 0.22312 -0.05866 -0.00427 -0.05280 56  PHE A CA  
383 C C   . PHE A 58 ? 0.32921 0.26222 0.30164 -0.05720 -0.01272 -0.05670 56  PHE A C   
384 O O   . PHE A 58 ? 0.29643 0.22940 0.27078 -0.04296 -0.01932 -0.05533 56  PHE A O   
385 C CB  . PHE A 58 ? 0.35275 0.20133 0.25392 -0.06520 -0.00874 -0.05349 56  PHE A CB  
386 C CG  . PHE A 58 ? 0.43612 0.24027 0.30154 -0.06891 -0.00244 -0.05007 56  PHE A CG  
387 C CD1 . PHE A 58 ? 0.46469 0.25928 0.31990 -0.09368 0.00099  -0.04966 56  PHE A CD1 
388 C CD2 . PHE A 58 ? 0.49624 0.26902 0.33719 -0.04785 -0.00023 -0.04664 56  PHE A CD2 
389 C CE1 . PHE A 58 ? 0.51603 0.26132 0.33201 -0.09743 0.00557  -0.04474 56  PHE A CE1 
390 C CE2 . PHE A 58 ? 0.55312 0.27993 0.35722 -0.04789 0.00394  -0.04282 56  PHE A CE2 
391 C CZ  . PHE A 58 ? 0.55821 0.27172 0.35057 -0.07185 0.00637  -0.04067 56  PHE A CZ  
392 N N   . VAL A 59 ? 0.26109 0.23034 0.25884 -0.07133 -0.01252 -0.06101 57  VAL A N   
393 C CA  . VAL A 59 ? 0.24329 0.25656 0.27656 -0.06527 -0.02060 -0.06485 57  VAL A CA  
394 C C   . VAL A 59 ? 0.30469 0.34451 0.34881 -0.08704 -0.02695 -0.06989 57  VAL A C   
395 O O   . VAL A 59 ? 0.28942 0.32143 0.31997 -0.11083 -0.02222 -0.07084 57  VAL A O   
396 C CB  . VAL A 59 ? 0.25546 0.30277 0.32019 -0.05277 -0.01456 -0.06710 57  VAL A CB  
397 C CG1 . VAL A 59 ? 0.23459 0.25833 0.28967 -0.03412 -0.01031 -0.06260 57  VAL A CG1 
398 C CG2 . VAL A 59 ? 0.22749 0.29727 0.30080 -0.06980 -0.00356 -0.07059 57  VAL A CG2 
399 N N   . ASP A 60 ? 0.26014 0.33163 0.32789 -0.07963 -0.03889 -0.07246 58  ASP A N   
400 C CA  . ASP A 60 ? 0.30174 0.41044 0.38667 -0.09868 -0.04721 -0.07772 58  ASP A CA  
401 C C   . ASP A 60 ? 0.24203 0.41010 0.36871 -0.09934 -0.04136 -0.08276 58  ASP A C   
402 O O   . ASP A 60 ? 0.25425 0.42703 0.39036 -0.08725 -0.02984 -0.08281 58  ASP A O   
403 C CB  . ASP A 60 ? 0.38466 0.50013 0.47174 -0.09045 -0.06482 -0.07784 58  ASP A CB  
404 C CG  . ASP A 60 ? 0.36039 0.50049 0.47490 -0.06156 -0.07116 -0.07615 58  ASP A CG  
405 O OD1 . ASP A 60 ? 0.29159 0.45271 0.42981 -0.04895 -0.06336 -0.07764 58  ASP A OD1 
406 O OD2 . ASP A 60 ? 0.40400 0.53935 0.51275 -0.05190 -0.08502 -0.07341 58  ASP A OD2 
407 N N   . GLU A 61 ? 0.28679 0.50363 0.43843 -0.11334 -0.04975 -0.08792 59  GLU A N   
408 C CA  . GLU A 61 ? 0.29556 0.57882 0.48896 -0.11568 -0.04385 -0.09413 59  GLU A CA  
409 C C   . GLU A 61 ? 0.30412 0.61330 0.52756 -0.07977 -0.04507 -0.09671 59  GLU A C   
410 O O   . GLU A 61 ? 0.31110 0.66341 0.56268 -0.07399 -0.03490 -0.10262 59  GLU A O   
411 C CB  . GLU A 61 ? 0.29132 0.61388 0.49911 -0.13444 -0.05368 -0.09528 59  GLU A CB  
412 C CG  . GLU A 61 ? 0.41016 0.73849 0.62265 -0.12193 -0.07503 -0.09479 59  GLU A CG  
413 C CD  . GLU A 61 ? 0.54247 0.81996 0.71359 -0.13983 -0.08575 -0.09279 59  GLU A CD  
414 O OE1 . GLU A 61 ? 0.45687 0.68002 0.59049 -0.15264 -0.07785 -0.09166 59  GLU A OE1 
415 O OE2 . GLU A 61 ? 0.59543 0.88489 0.76884 -0.13912 -0.10236 -0.09228 59  GLU A OE2 
416 N N   . ASN A 62 ? 0.26781 0.54841 0.48238 -0.05600 -0.05672 -0.09250 60  ASN A N   
417 C CA  . ASN A 62 ? 0.24460 0.53156 0.47732 -0.02256 -0.05917 -0.09338 60  ASN A CA  
418 C C   . ASN A 62 ? 0.24952 0.48634 0.45853 -0.01126 -0.04869 -0.08901 60  ASN A C   
419 O O   . ASN A 62 ? 0.30989 0.53538 0.52355 0.01368  -0.05271 -0.08802 60  ASN A O   
420 C CB  . ASN A 62 ? 0.24616 0.53017 0.48073 -0.00526 -0.07910 -0.08955 60  ASN A CB  
421 C CG  . ASN A 62 ? 0.33749 0.67658 0.59831 -0.01251 -0.09221 -0.09383 60  ASN A CG  
422 O OD1 . ASN A 62 ? 0.36067 0.73986 0.64696 -0.00361 -0.08794 -0.09589 60  ASN A OD1 
423 N ND2 . ASN A 62 ? 0.38682 0.71319 0.62861 -0.02869 -0.10449 -0.09061 60  ASN A ND2 
424 N N   . ARG A 63 ? 0.20126 0.40625 0.38312 -0.02963 -0.03680 -0.08596 61  ARG A N   
425 C CA  . ARG A 63 ? 0.22474 0.38760 0.38390 -0.02213 -0.02699 -0.08172 61  ARG A CA  
426 C C   . ARG A 63 ? 0.24562 0.36794 0.38459 -0.00792 -0.03550 -0.07420 61  ARG A C   
427 O O   . ARG A 63 ? 0.24051 0.33987 0.37121 0.00428  -0.03076 -0.07147 61  ARG A O   
428 C CB  . ARG A 63 ? 0.32106 0.50455 0.49991 -0.00759 -0.01753 -0.08785 61  ARG A CB  
429 C CG  . ARG A 63 ? 0.26882 0.49586 0.46530 -0.02295 -0.00596 -0.09499 61  ARG A CG  
430 C CD  . ARG A 63 ? 0.34060 0.58208 0.54787 -0.00955 0.00652  -0.10199 61  ARG A CD  
431 N NE  . ARG A 63 ? 0.32758 0.52720 0.50446 -0.01402 0.01623  -0.09705 61  ARG A NE  
432 C CZ  . ARG A 63 ? 0.32573 0.51664 0.48309 -0.03594 0.02708  -0.09361 61  ARG A CZ  
433 N NH1 . ARG A 63 ? 0.32174 0.53840 0.48414 -0.05945 0.03036  -0.09404 61  ARG A NH1 
434 N NH2 . ARG A 63 ? 0.29982 0.45536 0.43090 -0.03524 0.03396  -0.08913 61  ARG A NH2 
435 N N   . VAL A 64 ? 0.17316 0.28759 0.30221 -0.01147 -0.04771 -0.07078 62  VAL A N   
436 C CA  . VAL A 64 ? 0.23030 0.30815 0.33588 -0.00168 -0.05402 -0.06291 62  VAL A CA  
437 C C   . VAL A 64 ? 0.22695 0.26780 0.29806 -0.01386 -0.04710 -0.05957 62  VAL A C   
438 O O   . VAL A 64 ? 0.24382 0.28240 0.30386 -0.03187 -0.04680 -0.06248 62  VAL A O   
439 C CB  . VAL A 64 ? 0.22930 0.31761 0.33811 0.00258  -0.07098 -0.06098 62  VAL A CB  
440 C CG1 . VAL A 64 ? 0.31359 0.36512 0.39393 0.00954  -0.07535 -0.05222 62  VAL A CG1 
441 C CG2 . VAL A 64 ? 0.32042 0.44271 0.46232 0.01997  -0.07910 -0.06394 62  VAL A CG2 
442 N N   . VAL A 65 ? 0.22443 0.23652 0.27802 -0.00408 -0.04214 -0.05380 63  VAL A N   
443 C CA  . VAL A 65 ? 0.22825 0.20654 0.24930 -0.00943 -0.03575 -0.05093 63  VAL A CA  
444 C C   . VAL A 65 ? 0.28496 0.24847 0.28389 -0.01529 -0.04413 -0.05083 63  VAL A C   
445 O O   . VAL A 65 ? 0.26947 0.23430 0.26644 -0.00731 -0.05293 -0.04732 63  VAL A O   
446 C CB  . VAL A 65 ? 0.20967 0.17163 0.22203 0.00411  -0.03050 -0.04473 63  VAL A CB  
447 C CG1 . VAL A 65 ? 0.23565 0.16790 0.21618 0.00355  -0.02426 -0.04238 63  VAL A CG1 
448 C CG2 . VAL A 65 ? 0.23650 0.21049 0.26734 0.00887  -0.02343 -0.04613 63  VAL A CG2 
449 N N   . THR A 66 ? 0.25847 0.20170 0.23464 -0.02958 -0.04141 -0.05439 64  THR A N   
450 C CA  . THR A 66 ? 0.27817 0.20431 0.22970 -0.03692 -0.05003 -0.05684 64  THR A CA  
451 C C   . THR A 66 ? 0.37295 0.25586 0.28444 -0.03168 -0.04444 -0.05618 64  THR A C   
452 O O   . THR A 66 ? 0.37556 0.23955 0.26105 -0.03465 -0.05081 -0.05935 64  THR A O   
453 C CB  . THR A 66 ? 0.38786 0.32326 0.34167 -0.06043 -0.05494 -0.06351 64  THR A CB  
454 O OG1 . THR A 66 ? 0.38700 0.30442 0.33033 -0.07166 -0.04405 -0.06433 64  THR A OG1 
455 C CG2 . THR A 66 ? 0.40214 0.38957 0.39783 -0.06295 -0.06213 -0.06547 64  THR A CG2 
456 N N   . GLN A 67 ? 0.34461 0.21237 0.24925 -0.02284 -0.03330 -0.05305 65  GLN A N   
457 C CA  . GLN A 67 ? 0.36530 0.19571 0.23381 -0.01320 -0.02787 -0.05293 65  GLN A CA  
458 C C   . GLN A 67 ? 0.31555 0.15558 0.19341 0.00506  -0.01997 -0.04641 65  GLN A C   
459 O O   . GLN A 67 ? 0.32002 0.18296 0.22497 0.00537  -0.01729 -0.04342 65  GLN A O   
460 C CB  . GLN A 67 ? 0.41347 0.20926 0.25726 -0.02395 -0.02355 -0.05611 65  GLN A CB  
461 C CG  . GLN A 67 ? 0.50347 0.29359 0.34128 -0.04838 -0.03118 -0.06215 65  GLN A CG  
462 C CD  . GLN A 67 ? 0.65927 0.41154 0.47063 -0.06288 -0.02667 -0.06314 65  GLN A CD  
463 O OE1 . GLN A 67 ? 0.73425 0.46440 0.52985 -0.04849 -0.01881 -0.05770 65  GLN A OE1 
464 N NE2 . GLN A 67 ? 0.71146 0.47101 0.52750 -0.08878 -0.03104 -0.06585 65  GLN A NE2 
465 N N   . VAL A 68 ? 0.35979 0.18435 0.21461 0.01990  -0.01629 -0.04514 66  VAL A N   
466 C CA  . VAL A 68 ? 0.34029 0.18043 0.20515 0.03522  -0.00926 -0.03878 66  VAL A CA  
467 C C   . VAL A 68 ? 0.32012 0.15480 0.18835 0.03689  -0.00286 -0.03741 66  VAL A C   
468 O O   . VAL A 68 ? 0.33860 0.14211 0.18026 0.03929  -0.00027 -0.03994 66  VAL A O   
469 C CB  . VAL A 68 ? 0.35869 0.18915 0.19813 0.05125  -0.00510 -0.03869 66  VAL A CB  
470 C CG1 . VAL A 68 ? 0.33383 0.18753 0.18725 0.06441  0.00237  -0.03196 66  VAL A CG1 
471 C CG2 . VAL A 68 ? 0.31914 0.15741 0.15337 0.04874  -0.01100 -0.03880 66  VAL A CG2 
472 N N   . PRO A 69 ? 0.28813 0.14742 0.18389 0.03551  -0.00105 -0.03376 67  PRO A N   
473 C CA  . PRO A 69 ? 0.30304 0.15722 0.19763 0.03760  0.00471  -0.03218 67  PRO A CA  
474 C C   . PRO A 69 ? 0.30267 0.15133 0.18155 0.05581  0.00932  -0.02877 67  PRO A C   
475 O O   . PRO A 69 ? 0.30873 0.17691 0.19434 0.06504  0.01009  -0.02590 67  PRO A O   
476 C CB  . PRO A 69 ? 0.26960 0.15387 0.19614 0.03374  0.00473  -0.03049 67  PRO A CB  
477 C CG  . PRO A 69 ? 0.25625 0.15420 0.19994 0.02604  -0.00195 -0.03275 67  PRO A CG  
478 C CD  . PRO A 69 ? 0.27049 0.15824 0.19589 0.03161  -0.00515 -0.03163 67  PRO A CD  
479 N N   . ALA A 70 ? 0.32704 0.15099 0.18477 0.06084  0.01218  -0.02840 68  ALA A N   
480 C CA  . ALA A 70 ? 0.32231 0.15380 0.17312 0.07790  0.01457  -0.02322 68  ALA A CA  
481 C C   . ALA A 70 ? 0.39846 0.21657 0.23951 0.07878  0.01572  -0.01976 68  ALA A C   
482 O O   . ALA A 70 ? 0.38171 0.17722 0.21369 0.06534  0.01571  -0.02122 68  ALA A O   
483 C CB  . ALA A 70 ? 0.36518 0.18061 0.19296 0.08681  0.01368  -0.02420 68  ALA A CB  
484 N N   . ILE A 71 ? 0.36854 0.20106 0.20940 0.09430  0.01664  -0.01508 69  ILE A N   
485 C CA  . ILE A 71 ? 0.40266 0.21866 0.22867 0.09737  0.01664  -0.01126 69  ILE A CA  
486 C C   . ILE A 71 ? 0.53932 0.31151 0.33108 0.09590  0.01493  -0.01084 69  ILE A C   
487 O O   . ILE A 71 ? 0.52772 0.28738 0.30720 0.09856  0.01346  -0.01347 69  ILE A O   
488 C CB  . ILE A 71 ? 0.47400 0.31535 0.30459 0.11586  0.01613  -0.00659 69  ILE A CB  
489 C CG1 . ILE A 71 ? 0.54976 0.39602 0.36989 0.13225  0.01539  -0.00614 69  ILE A CG1 
490 C CG2 . ILE A 71 ? 0.40129 0.28385 0.26380 0.11390  0.01727  -0.00694 69  ILE A CG2 
491 C CD1 . ILE A 71 ? 0.56753 0.41906 0.37585 0.15093  0.01354  -0.00201 69  ILE A CD1 
492 N N   . GLY A 72 ? 0.49592 0.24152 0.26929 0.08994  0.01520  -0.00775 70  GLY A N   
493 C CA  . GLY A 72 ? 0.58726 0.28778 0.32329 0.08860  0.01308  -0.00589 70  GLY A CA  
494 C C   . GLY A 72 ? 0.68653 0.35748 0.40768 0.06609  0.01483  -0.00419 70  GLY A C   
495 O O   . GLY A 72 ? 0.65213 0.28362 0.33890 0.06328  0.01307  -0.00064 70  GLY A O   
496 O OXT . GLY A 72 ? 0.57799 0.26487 0.32028 0.05008  0.01840  -0.00666 70  GLY A OXT 
497 O O   . HOH B .  ? 0.27438 0.45745 0.47992 0.05550  -0.00647 -0.10594 101 HOH A O   
498 O O   . HOH B .  ? 0.41485 0.37820 0.47778 0.04432  -0.03429 -0.03701 102 HOH A O   
499 O O   . HOH B .  ? 0.41003 0.37997 0.40948 0.02259  -0.01228 0.00608  103 HOH A O   
500 O O   . HOH B .  ? 0.45915 0.49130 0.45646 0.01566  -0.00777 -0.03516 104 HOH A O   
501 O O   . HOH B .  ? 0.39507 0.40778 0.32635 0.05599  0.01547  0.01301  105 HOH A O   
502 O O   . HOH B .  ? 0.44885 0.49821 0.46363 -0.07830 0.06216  -0.06371 106 HOH A O   
503 O O   . HOH B .  ? 0.33893 0.33768 0.30106 0.04299  0.00861  -0.02492 107 HOH A O   
504 O O   . HOH B .  ? 0.44512 0.18206 0.23971 0.03866  0.01777  -0.01967 108 HOH A O   
505 O O   . HOH B .  ? 0.43042 0.35253 0.35490 0.03248  -0.04589 -0.00498 109 HOH A O   
506 O O   . HOH B .  ? 0.39649 0.16669 0.22591 0.02693  0.01045  -0.03330 110 HOH A O   
507 O O   . HOH B .  ? 0.44173 0.19290 0.22613 0.05156  0.00019  -0.04223 111 HOH A O   
508 O O   . HOH B .  ? 0.40151 0.39562 0.36486 -0.17935 0.04428  -0.05292 112 HOH A O   
509 O O   . HOH B .  ? 0.41442 0.17917 0.24000 0.00627  -0.00145 -0.04434 113 HOH A O   
510 O O   . HOH B .  ? 0.55337 0.49946 0.61693 0.04474  -0.01703 -0.06057 114 HOH A O   
511 O O   . HOH B .  ? 0.60800 0.57816 0.56106 -0.00296 0.04765  -0.05030 115 HOH A O   
512 O O   . HOH B .  ? 0.36133 0.21256 0.26656 -0.00480 -0.00406 -0.04305 116 HOH A O   
513 O O   . HOH B .  ? 0.49169 0.47167 0.33402 0.19379  0.02634  -0.00749 117 HOH A O   
514 O O   . HOH B .  ? 0.44763 0.43201 0.44110 -0.01195 -0.08114 -0.04803 118 HOH A O   
515 O O   . HOH B .  ? 0.40758 0.42364 0.41626 -0.03548 0.05194  -0.06213 119 HOH A O   
516 O O   . HOH B .  ? 0.33996 0.36933 0.41092 0.02606  0.02612  -0.08221 120 HOH A O   
517 O O   . HOH B .  ? 0.46873 0.38795 0.42276 0.02803  -0.05074 0.02336  121 HOH A O   
518 O O   . HOH B .  ? 0.42187 0.40879 0.52525 0.07603  -0.07071 -0.04208 122 HOH A O   
519 O O   . HOH B .  ? 0.47537 0.62947 0.57048 -0.07171 0.06106  -0.08490 123 HOH A O   
520 O O   . HOH B .  ? 0.65263 0.37509 0.44377 -0.11368 -0.01674 -0.05545 124 HOH A O   
521 O O   . HOH B .  ? 0.46856 0.23210 0.25117 0.01909  -0.02352 -0.05856 125 HOH A O   
522 O O   . HOH B .  ? 0.39730 0.40867 0.30279 0.15191  0.01119  0.00497  126 HOH A O   
523 O O   . HOH B .  ? 0.49157 0.53989 0.41154 0.13003  0.03518  -0.00231 127 HOH A O   
524 O O   . HOH B .  ? 0.48581 0.50375 0.53239 0.04213  -0.11493 -0.02599 128 HOH A O   
525 O O   . HOH B .  ? 0.37821 0.69102 0.59435 -0.08424 0.01675  -0.10227 129 HOH A O   
526 O O   . HOH B .  ? 0.54102 0.26151 0.31005 0.05946  0.00994  -0.02387 130 HOH A O   
527 O O   . HOH B .  ? 0.65904 0.33821 0.41353 0.00384  0.01209  -0.02410 131 HOH A O   
528 O O   . HOH B .  ? 0.41771 0.39691 0.43466 0.02473  0.01155  -0.06793 132 HOH A O   
529 O O   . HOH B .  ? 0.40427 0.55370 0.41815 0.05809  -0.00536 0.00240  133 HOH A O   
530 O O   . HOH B .  ? 0.65668 0.35533 0.32923 0.16078  -0.00111 0.02694  134 HOH A O   
531 O O   . HOH B .  ? 0.40502 0.54590 0.48533 -0.11601 0.05063  -0.07606 135 HOH A O   
532 O O   . HOH B .  ? 0.46071 0.66479 0.60354 -0.11033 0.00949  -0.08621 136 HOH A O   
533 O O   . HOH B .  ? 0.46513 0.45588 0.45550 0.01927  0.00829  -0.05915 137 HOH A O   
534 O O   . HOH B .  ? 0.51813 0.50572 0.51368 0.02135  0.01973  -0.08341 138 HOH A O   
535 O O   . HOH B .  ? 0.52703 0.52209 0.56936 0.03238  0.02086  -0.08457 139 HOH A O   
536 O O   . HOH B .  ? 0.67792 0.37038 0.42153 0.02426  -0.00814 -0.04911 140 HOH A O   
537 O O   . HOH B .  ? 0.43698 0.37260 0.44494 0.01832  -0.02903 0.00591  141 HOH A O   
538 O O   . HOH B .  ? 0.40732 0.52932 0.58457 0.08701  -0.00197 -0.11344 142 HOH A O   
539 O O   . HOH B .  ? 0.53171 0.55256 0.42091 0.06622  0.02424  0.01449  143 HOH A O   
540 O O   . HOH B .  ? 0.70274 0.34355 0.42218 0.00271  0.00236  -0.03075 144 HOH A O   
# 
